SCHEMBL16670720

SCHEMBL16670720

NC(=O)c1cc(N2CC3=CNCC3C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.38
KCNH2 Q12809 1/20 0.38
SCN3A Q9NY46 1/20 0.38
PARP10 Q53GL7 5/20 0.37
PARP14 Q460N5 4/20 0.37
ABL1 P00519 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL16670842 0.91 BTK (0.38) BTKKCNH2
SCHEMBL16670716 0.83 KCNH2 (0.41) BTKKCNH2SCN3APARP10PARP14
SCHEMBL16671069 0.82 BTK (0.46) BTKKCNH2
SCHEMBL16670557 0.80 BTK (0.38) BTKKCNH2SCN3APARP10PARP14
SCHEMBL16676752 0.80 PARP10 (0.48) BTKKCNH2SCN3APARP10PARP14
SCHEMBL16670985 0.79 BTK (0.43) BTKKCNH2SCN3APARP10PARP14
SCHEMBL16671257 0.79 PARP10 (0.46) BTKKCNH2SCN3APARP10PARP14
SCHEMBL16671222 0.78 BTK (0.45) BTKKCNH2SCN3APARP10PARP14
SCHEMBL20998697 0.78 BTK (0.40) BTKKCNH2SCN3APARP10PARP14
SCHEMBL16671067 0.76 BTK (0.51) BTKPARP10PARP14

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 5 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
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
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 1/4885KCNH2 2256/4885SCN3A 4015/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885KCNH2 2256/4885SCN3A 4015/4885

“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.