SCHEMBL186113

SCHEMBL186113

N#Cc1cccc2[nH]nc(N)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 1.00
PDPK1 O15530 3/20 0.56
GAA P10253 2/20 0.56
KDR P35968 6/20 0.50
KIT P10721 2/20 0.50
FLT3 P36888 2/20 0.50
ABL1 P00519 5/20 0.47
ROCK1 Q13464 4/20 0.47
CDK5 Q00535 4/20 0.47
LCK P06239 3/20 0.47
CSF1R P07333 3/20 0.47
FGFR1 P11362 3/20 0.47
PRKACA P17612 3/20 0.47
DYRK1A Q13627 3/20 0.47
CLK4 Q9HAZ1 2/20 0.47
PLK4 O00444 2/20 0.47
AURKA O14965 2/20 0.47
JAK2 O60674 2/20 0.47
CDK1 P06493 2/20 0.47
LYN P07948 2/20 0.47

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
SCHEMBL22499298 0.82 MAP2K1 (0.70) MAP2K1PDPK1GAAKDRKIT
SCHEMBL27697246 0.79 MAP2K1 (0.65) MAP2K1PDPK1GAAKDRFLT3
SCHEMBL14631605 0.79 MAP2K1 (0.65) MAP2K1PDPK1GAAKDRKIT
SCHEMBL30548021 0.79 MAP2K1 (0.65) MAP2K1PDPK1GAAKDRKIT
SCHEMBL25249427 0.79 MAP2K1 (0.65) MAP2K1PDPK1GAAKDRKIT
SCHEMBL17424248 0.77 KDR (0.66) MAP2K1PDPK1GAAKDRKIT
SCHEMBL30065304 0.75 PDPK1 (0.66) MAP2K1PDPK1GAAKDRKIT
SCHEMBL628649 0.75 PDPK1 (0.66) MAP2K1PDPK1GAAKDRKIT
SCHEMBL29950691 0.75 MAP2K1 (0.59) MAP2K1PDPK1GAAKDRKIT
SCHEMBL16681490 0.75 MAP2K1 (0.59) MAP2K1PDPK1GAAKDRKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US 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
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
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
CN-102388039-A Pyrazole derivatives as CCR4 receptor antagonists GLAXO GROUP LTD 2012-03-21 CN disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2012-01-19 US disclosed
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216860-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-08-26 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 (6 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-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 MAP2K1 1165/4885PDPK1 1304/4885GAA 3619/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 MAP2K1 1165/4885PDPK1 1304/4885GAA 3619/4885
US-20120015932-A1 Pyrazole Derivatives Used as CCR4 Receptor Antagonists CCR4, CCR3, CCR1 MAP2K1 3016/4885PDPK1 610/4885GAA 4288/4885
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 MAP2K1 1165/4885PDPK1 1304/4885GAA 3619/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 MAP2K1 1165/4885PDPK1 1304/4885GAA 3619/4885
US-20100216860-A1 NOVEL COMPOUNDS CYP3A4, CYP3A43, ABCG2 MAP2K1 4755/4885PDPK1 221/4885GAA 303/4885

“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.