SCHEMBL6525326

SCHEMBL6525326

COc1cc2c(Nc3ccc(F)c(Cl)c3)nc3ncccc3c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.58
ERBB2 P04626 2/20 0.58
AURKA O14965 1/20 0.58
INSR P06213 1/20 0.58
FBP1 P09467 1/20 0.58
PDGFRB P09619 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
CLK1 P49759 1/20 0.58
EPHB4 P54760 1/20 0.58
TEK Q02763 1/20 0.58
AURKB Q96GD4 1/20 0.58
ABCG2 Q9UNQ0 5/20 0.53
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 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
SCHEMBL6523002 0.85 EGFR (0.51) EGFRAURKAKDRABCG2
SCHEMBL6520921 0.84 ABCG2 (0.65) EGFRABCG2
SCHEMBL12786738 0.82 ABCG2 (0.62) EGFRABCG2
SCHEMBL6525833 0.81 ABCG2 (0.61) EGFRKDRABCG2
SCHEMBL12786754 0.79 ABCG2 (0.66) EGFRERBB2FBP1KDRABCG2
SCHEMBL6526930 0.79 ABCG2 (0.53) EGFRKDRABCG2
SCHEMBL6522144 0.74 ABCG2 (0.68) EGFRERBB2ABCG2
SCHEMBL2099106 0.74 EGFR (1.00) EGFRERBB2AURKAINSRFBP1
SCHEMBL30505605 0.74 EGFR (1.00) EGFRERBB2AURKAINSRFBP1
SCHEMBL14474871 0.74 ABCG2 (0.63) EGFRERBB2AURKAINSRFBP1

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 10 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
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN 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 EGFR 815/4885ERBB2 256/4885AURKA 538/4885

“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.