SCHEMBL679019

SCHEMBL679019

O=c1[nH]c2nccc(Cl)c2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 1.00
AURKB Q96GD4 10/20 1.00
PARP1 P09874 4/20 0.57
DAO P14920 1/20 0.53
MAPK13 O15264 1/20 0.50
CHEK2 O96017 1/20 0.50
NTRK1 P04629 1/20 0.50
RET P07949 1/20 0.50
HCK P08631 1/20 0.50
FGFR1 P11362 1/20 0.50
FLT4 P35916 1/20 0.50
LIMK1 P53667 1/20 0.50
SIK1 P57059 1/20 0.50
TNK2 Q07912 1/20 0.50
WNK3 Q9BYP7 1/20 0.50
ERBB2 P04626 1/20 0.48

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
SCHEMBL6517191 0.83 AURKA (0.70) AURKAAURKBPARP1DAOERBB2
SCHEMBL6519310 0.83 AURKA (0.70) AURKAAURKBPARP1DAOERBB2
SCHEMBL675631 0.81 AURKA (0.68) AURKAAURKBERBB2
SCHEMBL31240940 0.81 AURKA (0.68) AURKAAURKBERBB2
SCHEMBL6521696 0.80 AURKA (0.67) AURKAAURKBPARP1DAOCHEK2
SCHEMBL6523418 0.80 AURKA (0.67) AURKAAURKBPARP1DAOCHEK2
SCHEMBL3455551 0.80 AURKA (0.67) AURKAAURKBPARP1DAOERBB2
SCHEMBL6521579 0.80 AURKA (0.67) AURKAAURKBPARP1DAOMAPK13
SCHEMBL3459309 0.80 AURKA (1.00) AURKAAURKBPARP1MAPK13CHEK2
SCHEMBL6519395 0.79 AURKA (0.65) AURKAAURKBPARP1MAPK13CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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 (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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885PARP1 796/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 AURKA 538/4885AURKB 487/4885PARP1 1693/4885

“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.