SCHEMBL16670985

SCHEMBL16670985

NC(=O)c1cc(N2CCC(N)C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.43
PARP10 Q53GL7 5/20 0.42
PARP14 Q460N5 4/20 0.42
KCNH2 Q12809 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ABL1 P00519 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PARP1 P09874 1/20 0.39
RPS6KB1 P23443 2/20 0.39
SCN9A Q15858 2/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL16671222 0.95 BTK (0.45) BTKPARP10PARP14KCNH2SCN3A
SCHEMBL16671257 0.94 PARP10 (0.46) BTKPARP10PARP14KCNH2SCN3A
SCHEMBL16670710 0.90 BTK (0.45) BTKCCNCCDK8
SCHEMBL18045006 0.87 PPARA (0.41) BTKPARP10PARP14KCNH2SCN3A
SCHEMBL16676752 0.86 PARP10 (0.48) BTKPARP10PARP14KCNH2SCN3A
SCHEMBL16671812 0.85 BTK (0.47) BTKKCNH2
SCHEMBL16671485 0.84 BTK (0.44) BTKPARP10PARP14SCN9A
SCHEMBL16670016 0.84 BTK (0.59) BTKKCNH2
SCHEMBL16670904 0.84 BTK (0.49) BTKPARP10PARP14KCNH2SCN3A
SCHEMBL16670716 0.83 KCNH2 (0.41) BTKPARP10PARP14KCNH2SCN3A

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-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK BTK 1/4885PARP10 966/4885PARP14 908/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885PARP10 966/4885PARP14 908/4885

“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.