SCHEMBL17660388

SCHEMBL17660388

NCc1ccc(-c2ccnc3[nH]c(-c4ccc(N5CC[C@H](O)[C@@H](O)C5)cn4)nc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.41
▸ KCNH2 Q12809 1/20 0.34
▸ CALML3 P27482 2/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ PIM1 P11309 3/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ SSTR5 P35346 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ CDC42BPB Q9Y5S2 1/20 0.31

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
SCHEMBL17660389 0.90 BTK (0.43) BTKKCNH2ALKPIM1NSD2
SCHEMBL17645738 0.89 BTK (0.44) BTK
SCHEMBL17645845 0.87 BTK (0.42) BTKKCNH2CALML3ALKNSD2
SCHEMBL17645745 0.85 BTK (0.39) BTKALKPIM1NSD2ALOX5AP
SCHEMBL17646023 0.84 BTK (0.47) BTK
SCHEMBL24061680 0.81 BTK (0.40) BTK
SCHEMBL17670785 0.81 BTK (0.56) BTK
SCHEMBL17646035 0.81 BTK (0.56) BTK
SCHEMBL17664630 0.81 BTK (0.57) BTK
SCHEMBL17645714 0.76 BTK (0.47) BTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US 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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN BTK 1/4885KCNH2 2866/4885CALML3 973/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885KCNH2 3016/4885CALML3 833/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885KCNH2 2866/4885CALML3 973/4885

“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.

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