SCHEMBL30086367

SCHEMBL30086367

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(C(=O)N5CCN(C(C)C)CC5)cc4)n3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ SYK P43405 4/20 0.47
▸ CDK6 Q00534 3/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ DYRK2 Q92630 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ AURKA O14965 2/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ IKBKB O14920 2/20 0.42
▸ CHUK O15111 2/20 0.42
▸ IKBKG Q9Y6K9 2/20 0.42
▸ BTK Q06187 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ EPHX2 P34913 1/20 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
SCHEMBL23906591 1.00 CDK1 (0.50) CDK1CDK2SYKCDK6CCND1
SCHEMBL23906251 0.91 SYK (0.49) CDK1CDK2SYKCDK6CCND1
SCHEMBL30086549 0.91 SYK (0.49) CDK1CDK2SYKCDK6CCND1
SCHEMBL30086677 0.90 SYK (0.43) CDK1CDK2SYKCDK6CCND1
SCHEMBL23906825 0.90 SYK (0.43) CDK1CDK2SYKCDK6CCND1
SCHEMBL23906614 0.90 CDK2 (0.54) CDK1CDK2SYKPTK2AURKA
SCHEMBL30086760 0.90 CDK2 (0.54) CDK1CDK2SYKPTK2AURKA
SCHEMBL25225064 0.88 MKNK1 (0.52) CDK1CDK2SYKCDK6CCND1
SCHEMBL30086827 0.88 MKNK1 (0.52) CDK1CDK2SYKCDK6CCND1
SCHEMBL23906534 0.85 JAK2 (0.52) CDK2AURKAAURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CDK1 1163/4885CDK2 258/4885SYK 1618/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 CDK1 1163/4885CDK2 258/4885SYK 1618/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CDK1 1163/4885CDK2 258/4885SYK 1618/4885

“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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