SCHEMBL17645759

SCHEMBL17645759

COc1ccccc1-c1nc2c(-c3ccc(CN)c(F)c3)ccnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.50
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ FYN P06241 2/20 0.39
▸ PDE5A O76074 4/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ CYP1A2 P05177 2/20 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
SCHEMBL17645976 0.86 BTK (0.41) BTKALOX5APFEN1HSD17B10
SCHEMBL17645980 0.85 BTK (0.60) BTKCHUKINSRMAPK8CAMKK2
SCHEMBL17646003 0.85 MAPK14 (0.42) BTKCCNB2CDK1CCNB1GSK3A
SCHEMBL17645984 0.85 MAPK14 (0.42) BTKCCNB2CDK1CCNB1GSK3A
SCHEMBL17660349 0.84 BTK (0.44) BTKCYP1A2MAPK14
SCHEMBL17646039 0.83 MGAT2 (0.47) BTKCCNB2CDK1CCNB1GSK3A
SCHEMBL17646013 0.83 MGAT2 (0.47) BTKCCNB2CDK1CCNB1GSK3A
SCHEMBL17660360 0.82 BTK (0.47) BTKCCNB2CDK1CCNB1GSK3A
SCHEMBL17645990 0.82 BTK (0.60) BTKCHUKINSRMAPK8CAMKK2
SCHEMBL17645780 0.81 BTK (0.42) BTKCCNB2CDK1CCNB1GSK3A

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-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
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 1/4885CCNB2 2710/4885CDK1 453/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885CCNB2 2775/4885CDK1 514/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885CCNB2 2710/4885CDK1 453/4885

“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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