SCHEMBL17645796

SCHEMBL17645796

CN(C)c1ccc(-c2nc3c(-c4ccc(CN)c(F)c4)ccnc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.42
▸ AURKA O14965 8/20 0.39
▸ TCF4 P15884 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ ALOX5 P09917 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ SNCA P37840 1/20 0.36
▸ KDR P35968 1/20 0.34

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
SCHEMBL17645714 0.89 BTK (0.47) BTKCCNB2CDK1CCNB1GSK3A
SCHEMBL17660349 0.87 BTK (0.44) BTK
SCHEMBL17645984 0.85 MAPK14 (0.42) BTKAURKACCNB2CDK1CCNB1
SCHEMBL17646003 0.85 MAPK14 (0.42) BTKAURKACCNB2CDK1CCNB1
SCHEMBL17646036 0.81 BTK (0.59) BTK
SCHEMBL30950575 0.81 BTK (0.59) BTK
SCHEMBL17645701 0.81 BTK (0.59) BTK
SCHEMBL17645736 0.80 BTK (0.51) BTK
SCHEMBL17646013 0.80 MGAT2 (0.47) BTKAURKACCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL17645842 0.80 BTK (0.58) 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 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 1/4885AURKA 394/4885TCF4 2403/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885AURKA 403/4885TCF4 2468/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885AURKA 394/4885TCF4 2403/4885

“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.

Send feedback