SCHEMBL10145972

SCHEMBL10145972

CNCc1cc2ccccn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK7 P50613 1/20 0.46
TYRO3 Q06418 1/20 0.46
LRRK2 Q5S007 1/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
DRD4 P21917 2/20 0.44
PDE10A Q9Y233 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2C P28335 2/20 0.41

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
SCHEMBL18901340 0.83 DRD2 (0.44) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL17788647 0.82 KDM4E (0.44) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL261030 0.80 DRD2 (0.47) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL259378 0.78 DRD2 (0.48) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL11655446 0.77 MAP4K4 (0.47) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL13540953 0.77 DRD2 (0.47) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL30971750 0.77 DRD2 (0.50) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL24656101 0.76 NR3C1 (0.47) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL4032354 0.76 DRD2 (0.50) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL5018749 0.76 DRD2 (0.44) MAP4K4ABL1MAPK8CSNK1A1CDK7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO 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 (3 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAP4K4 75/4885ABL1 166/4885MAPK8 304/4885
US-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 MAP4K4 2782/4885ABL1 2895/4885MAPK8 2238/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 MAP4K4 3143/4885ABL1 2102/4885MAPK8 2453/4885

“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.