SCHEMBL17645845

SCHEMBL17645845

NCc1ccc(-c2ccnc3[nH]c(-c4ccc(N5CCCCC5)cn4)nc23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ ALK Q9UM73 2/20 0.35
▸ ALOX5AP P20292 4/20 0.35
▸ FEN1 P39748 4/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ TBK1 Q9UHD2 2/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ CALML3 P27482 2/20 0.33
▸ TYK2 P29597 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32

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
SCHEMBL17660389 0.91 BTK (0.43) BTKALKKCNH2TBK1NSD2
SCHEMBL17645745 0.91 BTK (0.39) BTKALKALOX5APFEN1TBK1
SCHEMBL17660388 0.87 BTK (0.41) BTKALKALOX5APFEN1KCNH2
SCHEMBL17645714 0.80 BTK (0.47) BTK
SCHEMBL17645780 0.80 BTK (0.42) BTKALOX5APFEN1RPS6KA3
SCHEMBL17660387 0.80 BDKRB1 (0.42) BTKALOX5APFEN1TBK1TYK2
SCHEMBL17645981 0.80 CCND3 (0.39) BTKCDK4CCNA2CDK2CCND3
SCHEMBL17645929 0.80 CCND3 (0.39) BTKCDK4CCNA2CDK2CCND3
SCHEMBL24061691 0.79 BTK (0.37) BTKTYK2
SCHEMBL17645742 0.79 BTK (0.57) 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 6 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
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 1/4885ALK 439/4885ALOX5AP 3157/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885ALK 425/4885ALOX5AP 3107/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885ALK 439/4885ALOX5AP 3157/4885

“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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