SCHEMBL17645716

SCHEMBL17645716

CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cn4)nc23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 2/20 0.47
▸ BTK Q06187 11/20 0.45
▸ MCHR1 Q99705 2/20 0.43
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ CHUK O15111 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ CAMKK2 Q96RR4 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ INSR P06213 1/20 0.39

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
SCHEMBL17660353 0.93 BTK (0.45) BDKRB1BTKMCHR1LCKHTR2C
SCHEMBL17645846 0.90 BTK (0.56) BTKLCKCDK1CDK2CDK9
SCHEMBL17645677 0.86 BTK (0.63) BDKRB1BTKMCHR1LCKHTR2C
SCHEMBL17660356 0.85 BTK (0.45) BTKLCK
SCHEMBL17645959 0.84 BTK (0.47) BTK
SCHEMBL17660387 0.83 BDKRB1 (0.42) BDKRB1BTKMCHR1JAK2JAK1
SCHEMBL17645991 0.81 BTK (0.45) BTKLCKCDK9
SCHEMBL17646023 0.81 BTK (0.47) BTKLCK
SCHEMBL17645777 0.80 BTK (0.59) BTKMCHR1LCKHTR2C
SCHEMBL24061607 0.80 HTR2C (0.39) BDKRB1BTKMCHR1JAK2JAK1

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 12 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-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
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 BDKRB1 928/4885BTK 1/4885MCHR1 4678/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BDKRB1 955/4885BTK 1/4885MCHR1 4680/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BDKRB1 928/4885BTK 1/4885MCHR1 4678/4885

“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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