SCHEMBL14763598

SCHEMBL14763598

Nc1n[nH]c2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.38
▸ ADORA2A P29274 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ JAK2 O60674 3/20 0.32
▸ PDPK1 O15530 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CCNB2 O95067 2/20 0.31
▸ CDK1 P06493 2/20 0.31
▸ CCNB1 P14635 2/20 0.31
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ CDK5R1 Q15078 2/20 0.31
▸ CCNB3 Q8WWL7 2/20 0.31
▸ RET P07949 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ XDH P47989 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30180924 1.00 DYRK1A (0.38) DYRK1AADORA2AMAPK1JAK2PDPK1
SCHEMBL6358084 0.75 MAPK1 (0.38) MAPK1
SCHEMBL14906033 0.71 MAPK1 (0.45) MAPK1
SCHEMBL30876173 0.71 MAPK1 (0.35) MAPK1KDM4ECCNB2CDK1CCNB1
SCHEMBL3950985 0.71 PDPK1 (0.38) DYRK1AMAPK1PDPK1CCNB2CDK1
SCHEMBL30316980 0.71 MAPK1 (0.35) MAPK1
SCHEMBL30988525 0.70 MAPK1 (0.46) DYRK1AMAPK1JAK2PDPK1CYP3A4
SCHEMBL12467739 0.69 DYRK1A (0.37) DYRK1AMAPK1PDPK1
SCHEMBL16946863 0.69 DYRK1A (0.37) DYRK1APDPK1GAA
SCHEMBL1495296 0.68 PDPK1 (0.48) PDPK1KDM4ECYP3A4GAAHSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4114837-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 Bayer Aktiengesellschaft (DE) 2023-01-11 — — EP claimed
WO-2021176049-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2021-09-10 — — WO claimed
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 — — US disclosed
EP-4114837-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 Bayer Aktiengesellschaft (DE) 2023-01-11 — — EP disclosed
WO-2021176049-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2021-09-10 — — WO disclosed
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 — — EP disclosed
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 — — US disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 — — EP disclosed
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 — — US disclosed
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-16 — — US disclosed
WO-2018078009-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 — — WO disclosed
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides NOVARTIS AG (CH) 2014-10-30 — — US disclosed
US-20140288083-A1 N-[4-(1H-PYRAZOLO[3,4-B]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-09-25 — — US disclosed
WO-2014016434-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PIERRE FABRE MEDICAMENT (FR) 2014-01-30 — — WO disclosed
WO-2013063100-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — WO disclosed
WO-2013060029-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP (US) 2013-05-02 — — WO disclosed
US-20130096110-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-04-18 — — US disclosed
US-20130072493-A1 N-[4-(1H-PYRAZOLO[3,4-b]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-03-21 — — US disclosed
EP-2570415-A1 N-[4-(1h-pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2013-03-20 — — EP disclosed
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130072493-A1 N-[4-(1H-PYRAZOLO[3,4-b]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 DYRK1A 521/4885ADORA2A 1519/4885MAPK1 148/4885
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 DYRK1A 2953/4885ADORA2A 263/4885MAPK1 1463/4885
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 DYRK1A 3719/4885ADORA2A 1730/4885MAPK1 3257/4885
US-20130096110-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 DYRK1A 2953/4885ADORA2A 263/4885MAPK1 1463/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 DYRK1A 3719/4885ADORA2A 1730/4885MAPK1 3257/4885
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 CDK12, CDK1, CDK15 DYRK1A 473/4885ADORA2A 2829/4885MAPK1 465/4885
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides CFTR, AQP1, BDKRB1 DYRK1A 4272/4885ADORA2A 273/4885MAPK1 3296/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 DYRK1A 3719/4885ADORA2A 1730/4885MAPK1 3257/4885
US-20140288083-A1 N-[4-(1H-PYRAZOLO[3,4-B]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 DYRK1A 521/4885ADORA2A 1519/4885MAPK1 148/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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