SCHEMBL14763597

SCHEMBL14763597

Nc1[nH]nc2nccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ CDK9 P50750 3/20 0.44
▸ CDK5 Q00535 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ EIF2AK2 P19525 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ ADORA2A P29274 1/20 0.40

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
SCHEMBL23486189 0.71 CHEK1 (0.42) CYP1A2ADORA2APDGFRADYRK1ALRRK2
Hydrochloric Acid SCHEMBL20529735 0.67 CCNA2 (0.41) GSK3BCCNA2CDK2GRM4GSK3A
SCHEMBL1164088 0.67 GSK3B (0.50) GSK3BKMT2ACDK9CDK5MAPT
SCHEMBL2330553 0.67 MAPT (0.48) GSK3BKMT2ACDK9CDK5MAPT
Hydrochloric Acid SCHEMBL20529747 0.66 PIK3CA (0.33) GRM4
Hydrochloric Acid SCHEMBL20529730 0.64 GSK3A (0.32) GSK3BKMT2AMEN1GRM4GSK3A
SCHEMBL30180924 0.62 DYRK1A (0.38) GSK3BCDK5CYP3A4CDK1CCNB1
SCHEMBL14763598 0.62 DYRK1A (0.38) GSK3BCDK5CYP3A4CDK1CCNB1
SCHEMBL18083083 0.60 ADORA2A (0.42) KMT2AMAPTMEN1CYP3A4TP53
SCHEMBL1864597 0.60 ADORA2A (0.43) KMT2AMAPTMEN1ADORA2AGAA

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 12 patents. 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
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-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 — — EP disclosed
US-9163015-B2 Pyrazolopyridine, pyrarolopyrazine, pyrazolopyrimidine, pyrazolothiophene and pyrazolothiazole compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-10-20 — — US disclosed
US-9108963-B2 Pyrazolopyridine, pyrazolopyrazine, pyrazolopyrimidine, pyrazolothiophene and pyrazolothiazole compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-08-18 — — US disclosed
EP-2877176-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK Pierre Fabre Médicament (FR) 2015-06-03 — — EP disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 — — WO 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
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-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 (2 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-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 GSK3B 3725/4885KMT2A 2290/4885CDK9 1605/4885
US-20130096110-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 GSK3B 3725/4885KMT2A 2290/4885CDK9 1605/4885

“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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