SCHEMBL17645929

SCHEMBL17645929

CN1CCN(Cc2ccc(-c3nc4c(-c5ccc(CN)c(F)c5)ccnc4[nH]3)nc2)CC1.CN1CCN(Cc2ccc(-c3nc4c(-c5ccc(CN)c(F)c5)ccnc4[nH]3)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCND3 P30281 4/20 0.39
▸ CDK6 Q00534 4/20 0.39
▸ CCNE2 O96020 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ BTK Q06187 3/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ TNIK Q9UKE5 3/20 0.38
▸ CHKA P35790 2/20 0.38
▸ KIT P10721 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ MAP3K11 Q16584 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL17645981 1.00 CCND3 (0.39) CCND3CDK6CCNE2CDK2BTK
SCHEMBL24061607 0.91 HTR2C (0.39) CCND3CDK6CCNE2CDK2BTK
SCHEMBL17660357 0.91 PARP1 (0.44) CDK2BTKTNIKCHKAKIT
SCHEMBL17660387 0.90 BDKRB1 (0.42) CDK2BTKMCHR1CDK1
SCHEMBL17660353 0.84 BTK (0.45) BTKHTR2CMCHR1
SCHEMBL17645777 0.81 BTK (0.59) BTKHTR2CMCHR1
SCHEMBL17645845 0.80 BTK (0.42) CCND3CDK6CDK2BTKCDK4
SCHEMBL17645714 0.79 BTK (0.47) BTKCDK1
SCHEMBL17645780 0.79 BTK (0.42) BTKCDK1
SCHEMBL17660389 0.78 BTK (0.43) 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 4 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
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 CCND3 2329/4885CDK6 433/4885CCNE2 3554/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CCND3 2378/4885CDK6 472/4885CCNE2 3815/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CCND3 2329/4885CDK6 433/4885CCNE2 3554/4885

“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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