SCHEMBL17645714

SCHEMBL17645714

CN(C)c1ccc(-c2nc3c(-c4ccc(CN)c(F)c4)ccnc3[nH]2)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.47
▸ WNT1 P04628 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ SNCA P37840 2/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SYK P43405 1/20 0.31

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
SCHEMBL17645796 0.89 BTK (0.42) BTKSNCACCNB2CDK1CCNB1
SCHEMBL17645780 0.85 BTK (0.42) BTKWNT1TGFBR1CLK2CLK3
SCHEMBL17646011 0.81 BTK (0.37) BTK
SCHEMBL17660361 0.81 BTK (0.38) BTK
SCHEMBL17645953 0.81 BTK (0.55) BTK
SCHEMBL17645845 0.80 BTK (0.42) BTK
SCHEMBL17645929 0.79 CCND3 (0.39) BTKCDK1
SCHEMBL17645981 0.79 CCND3 (0.39) BTKCDK1
SCHEMBL17660360 0.79 BTK (0.47) BTKCLK2CLK3DYRK1ACCNB2
SCHEMBL17660349 0.79 BTK (0.44) 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 1/4885WNT1 4321/4885TGFBR1 3784/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885WNT1 4497/4885TGFBR1 3902/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885WNT1 4321/4885TGFBR1 3784/4885

“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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