SCHEMBL7978076

SCHEMBL7978076

COc1c(-c2ccc(-c3ccccc3)cc2)nn(C)c1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.43
MAPK10 P53779 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK1G2 P78368 1/20 0.40
SLC34A1 Q06495 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ATR Q13535 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RHEB Q15382 1/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL7975522 0.91 KIT (0.44) CHEK2KDM4EMAPTRHEBNPC1
SCHEMBL7975506 0.90 SLC34A1 (0.39) CHEK2MAPK10CA12CA9SLC34A1
SCHEMBL10173220 0.86 CHEK2 (0.43) CHEK2MAPK10CA12CA9CSNK1A1
SCHEMBL16258976 0.85 NPC1 (0.42) CHEK2SLC34A1KDM4EATRMAPT
SCHEMBL10140724 0.82 CA12 (0.40) CA12CA9KDM4EGAPDHMAPT
SCHEMBL10139872 0.82 CHEK2 (0.46) CHEK2CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL10172619 0.81 DHODH (0.39) CHEK2CA12CA9SLC34A1KDM4E
SCHEMBL7982191 0.78 P2RY6 (0.51) CA12CA9KDM4EMAPTNPC1
SCHEMBL7959221 0.78 CHEK2 (0.53) CHEK2CA12CA9CSNK1A1CSNK1D
SCHEMBL7970762 0.77 AMY1A (0.44) CA12CA9KDM4EGAPDHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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 (1 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CHEK2 4794/4885MAPK10 2193/4885CA12 1599/4885

“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.