SCHEMBL17660387

SCHEMBL17660387

NCc1ccc(-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cn4)nc23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CAMKK2 Q96RR4 4/20 0.39
▸ CHUK O15111 3/20 0.39
▸ MAPK8 P45983 3/20 0.39
▸ BTK Q06187 1/20 0.39
▸ LRRK2 Q5S007 4/20 0.39
▸ INSR P06213 1/20 0.38
▸ MCHR1 Q99705 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
SCHEMBL17645981 0.90 CCND3 (0.39) CDK1CDK2BTKMCHR1
SCHEMBL17645929 0.90 CCND3 (0.39) CDK1CDK2BTKMCHR1
SCHEMBL17645716 0.83 BDKRB1 (0.47) BDKRB1JAK2JAK1TYK2JAK3
SCHEMBL24061607 0.83 HTR2C (0.39) BDKRB1JAK2JAK1TYK2JAK3
SCHEMBL17646040 0.81 BTK (0.53) JAK2JAK1TYK2JAK3BTK
SCHEMBL17660357 0.80 PARP1 (0.44) CDK1CDK2CDK9BTK
SCHEMBL17645677 0.80 BTK (0.63) BDKRB1BTKMCHR1
SCHEMBL17660389 0.80 BTK (0.43) BTKTBK1
SCHEMBL17645845 0.80 BTK (0.42) TYK2CDK2CDK9ALOX5APFEN1
SCHEMBL17645745 0.78 BTK (0.39) JAK2TYK2CDK1CDK2ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — 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 (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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BDKRB1 955/4885JAK2 20/4885JAK1 44/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BDKRB1 928/4885JAK2 17/4885JAK1 44/4885

“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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