SCHEMBL16670716

SCHEMBL16670716

NC(=O)c1cc(N2CC3CNCC3C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PARP14 Q460N5 2/20 0.40
PARP10 Q53GL7 2/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
BTK Q06187 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ABL1 P00519 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16670840 0.90 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3BTK
SCHEMBL20998697 0.87 BTK (0.40) KCNH2SCN3APARP14PARP10BTK
SCHEMBL16671067 0.85 BTK (0.51) PARP14PARP10BTK
SCHEMBL16676752 0.84 PARP10 (0.48) KCNH2SCN3APARP14PARP10BTK
SCHEMBL16670556 0.84 BTK (0.41) KCNH2SCN3APARP14PARP10BTK
SCHEMBL16670558 0.84 BTK (0.41) KCNH2SCN3APARP14PARP10BTK
SCHEMBL16670236 0.84 BTK (0.42) PARP14PARP10BTKABL1USP2
SCHEMBL16670985 0.83 BTK (0.43) KCNH2SCN3APARP14PARP10BTK
SCHEMBL16671257 0.83 PARP10 (0.46) KCNH2SCN3APARP14PARP10BTK
SCHEMBL16670720 0.83 BTK (0.38) KCNH2SCN3APARP14PARP10BTK

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-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
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 KCNH2 2256/4885SCN3A 4015/4885PARP14 908/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK KCNH2 2256/4885SCN3A 4015/4885PARP14 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.