SCHEMBL17660353

SCHEMBL17660353

CN1CCN(Cc2ccc(-c3nc4c(-c5ccc(CNC(=O)OC(C)(C)C)c(F)c5)ccnc4[nH]3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.45
▸ HTR2C P28335 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ LCK P06239 2/20 0.40
▸ BDKRB1 P46663 2/20 0.40

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
SCHEMBL17645716 0.93 BDKRB1 (0.47) BTKHTR2CMCHR1LCKBDKRB1
SCHEMBL17660356 0.92 BTK (0.45) BTKLCK
SCHEMBL24061607 0.86 HTR2C (0.39) BTKHTR2CMCHR1BDKRB1
SCHEMBL17645777 0.86 BTK (0.59) BTKHTR2CMCHR1LCK
SCHEMBL17645991 0.84 BTK (0.45) BTKLCK
SCHEMBL17645981 0.84 CCND3 (0.39) BTKHTR2CMCHR1
SCHEMBL17645929 0.84 CCND3 (0.39) BTKHTR2CMCHR1
SCHEMBL17645959 0.83 BTK (0.47) BTK
SCHEMBL17645846 0.82 BTK (0.56) BTKLCK
SCHEMBL17660344 0.81 BTK (0.62) BTKLCK

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
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

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 1/4885HTR2C 3028/4885MCHR1 4678/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885HTR2C 3011/4885MCHR1 4680/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885HTR2C 3028/4885MCHR1 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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