SCHEMBL15210404

SCHEMBL15210404

COc1cc(-c2cc3nccc(-c4ccnc(NC[C@@H]5CCCNC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.40
AURKB Q96GD4 9/20 0.40
KCNH2 Q12809 6/20 0.40
EHMT2 Q96KQ7 2/20 0.39
CCNT1 O60563 4/20 0.38
CDK9 P50750 3/20 0.38
KDR P35968 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL721674 1.00 SYK (0.40) SYKAURKBKCNH2EHMT2CCNT1
SCHEMBL10267561 0.87 MAPK1 (0.41) EHMT2CCNT1CDK9BRD4
SCHEMBL15210345 0.86 ROCK2 (0.43) SYKAURKBKCNH2EHMT2KDR
SCHEMBL15210605 0.83 IRAK4 (0.39) SYKAURKBKCNH2EHMT2CCNT1
SCHEMBL15210608 0.83 IRAK4 (0.39) SYKAURKBKCNH2EHMT2CCNT1
SCHEMBL10266957 0.83 PRKCI (0.41) BRD4
SCHEMBL721675 0.79 PDE4C (0.37) SYKCCNT1CDK9BRD4
SCHEMBL10267562 0.76 SYK (0.38) SYKKCNH2BRD4
SCHEMBL15210406 0.76 IRAK4 (0.32) SYKAURKBKCNH2CCNT1CDK9
SCHEMBL723093 0.75 PDE4C (0.55) SYKBRD4

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-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP claimed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US claimed
EP-2817313-A1 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-31 EP claimed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 WO claimed
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
EP-2817313-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-07 EP disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
US-20150038527-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
WO-2013124025-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 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-20150038527-A1 FUROPYRIDINE DERIVATIVES SYK, LYN, BTK SYK 1/4885AURKB 478/4885KCNH2 1384/4885

“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.