SCHEMBL17645911

SCHEMBL17645911

O=C1c2c(F)cc(C3CC3)cc2OCCN1Cc1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.43
GRM2 Q14416 1/20 0.41
OPRM1 P35372 7/20 0.39
MAOB P27338 1/20 0.37
CHRM5 P08912 1/20 0.35
P2RX7 Q99572 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL17645688 0.91 BTK (0.43) BTKGRM2P2RX7PRMT5WDR77
SCHEMBL17645947 0.83 BTK (0.45) BTK
SCHEMBL17645880 0.81 BTK (0.41) BTKP2RX7PRMT5WDR77
SCHEMBL17645887 0.80 BTK (0.55) BTK
SCHEMBL17663684 0.79 BTK (0.42) BTKPRMT5WDR77
SCHEMBL17660333 0.79 BTK (0.48) BTK
SCHEMBL17645704 0.77 BTK (0.46) BTKPRMT5WDR77
SCHEMBL17660390 0.76 BTK (0.40) BTKP2RX7PRMT5WDR77
SCHEMBL17660281 0.76 PRMT5 (0.42) BTKPRMT5WDR77
SCHEMBL17660334 0.75 BTK (0.45) 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 10 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
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
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO 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
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 1/4885GRM2 4216/4885OPRM1 4604/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885GRM2 4263/4885OPRM1 4532/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885GRM2 4216/4885OPRM1 4604/4885

“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.