SCHEMBL6517544

SCHEMBL6517544

COc1cccc(CNc2ccc3c(=O)[nH]c4ncccc4c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.51
FGFR4 P22455 1/20 0.51
MMP13 P45452 1/20 0.49
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
EGFR P00533 2/20 0.48
IGF1R P08069 2/20 0.48
MAPT P10636 4/20 0.48
HCAR2 Q8TDS4 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE9A O76083 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
SCHEMBL6527186 0.89 MAPT (0.51) CDK9MAPTHCAR2KDM4EALDH1A1
SCHEMBL6517978 0.86 CDC7 (0.52) MAPTHCAR2KDM4EALDH1A1ALOX15
SCHEMBL6521530 0.85 HIF1A (0.51) CCNT1CDK9EGFRNPC1RAB9A
SCHEMBL3454371 0.84 AURKA (0.60) FGFR1CDK9EGFRAURKAPARP1
SCHEMBL6523119 0.84 PDE9A (0.50) MMP13EGFRIGF1RMAPTKDM4E
SCHEMBL6519127 0.84 CDC7 (0.51) CCNT1CDK9HCAR2KDM4EAURKA
SCHEMBL6523494 0.84 AURKA (0.50) CCNT1CDK9EGFRIGF1RHCAR2
SCHEMBL6521162 0.83 AURKA (0.55) EGFRMAPTNPC1RAB9AMEN1
SCHEMBL12846396 0.83 PARP1 (0.49) FGFR1CCNT1CDK9EGFRKDM4E
SCHEMBL6521458 0.82 MAPT (0.50) EGFRIGF1RMAPTKDM4EALDH1A1

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
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-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
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 (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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 FGFR1 1422/4885FGFR4 1752/4885MMP13 4636/4885

“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.