SCHEMBL16670479

SCHEMBL16670479

NC(=O)c1cc(N2CCC3(CCNC3)C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.54
SLC6A4 P31645 16/20 0.54
SLC6A3 Q01959 16/20 0.54
SCN9A Q15858 1/20 0.40
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL16671870 0.94 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL16670317 0.92 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL16670550 0.86 CYP3A4 (0.42) SLC6A2SLC6A4SLC6A3SCN9APARP14
SCHEMBL16670513 0.84 BTK (0.48) PARP14PARP10
SCHEMBL16670630 0.83 BTK (0.39) SLC6A2SLC6A4SLC6A3SCN9APARP14
SCHEMBL16670631 0.83 BTK (0.39) SLC6A2SLC6A4SLC6A3SCN9APARP14
SCHEMBL16676710 0.82 CYP11B2 (0.41) PARP14PARP10
SCHEMBL16676752 0.81 PARP10 (0.48) SLC6A2SLC6A4SLC6A3SCN9APARP14
SCHEMBL16671257 0.80 PARP10 (0.46) SLC6A2SLC6A4SLC6A3SCN9APARP14
SCHEMBL16671508 0.80 CYP3A4 (0.41) PARP14PARP10

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
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 SLC6A2 4582/4885SLC6A4 4620/4885SLC6A3 4564/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK SLC6A2 4582/4885SLC6A4 4620/4885SLC6A3 4564/4885

“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.