SCHEMBL23906251

SCHEMBL23906251

Cc1cccc(-c2nccc(Nc3ccnc(Nc4cccc(C(=O)N5CCN(C(C)C)CC5)c4)n3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CCNT1 O60563 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ YES1 P07947 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ FGR P09769 1/20 0.43

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
SCHEMBL30086549 1.00 SYK (0.49) SYKNTRK1NPC1RAB9ACCNT1
SCHEMBL23906591 0.91 CDK1 (0.50) SYKCDK1CDK2EPHX2CDK6
SCHEMBL30086367 0.91 CDK1 (0.50) SYKCDK1CDK2EPHX2CDK6
SCHEMBL30086644 0.91 CCNT1 (0.51) SYKNTRK1NPC1RAB9ACCNT1
SCHEMBL23906667 0.91 CCNT1 (0.51) SYKNTRK1NPC1RAB9ACCNT1
SCHEMBL23906270 0.89 TYK2 (0.46) SYKNPC1RAB9ALCKYES1
SCHEMBL30086513 0.89 TYK2 (0.46) SYKNPC1RAB9ALCKYES1
SCHEMBL23906216 0.88 CCNT1 (0.59) SYKNTRK1NPC1RAB9ACCNT1
SCHEMBL23906628 0.88 NPC1 (0.48) SYKNTRK1NPC1RAB9ACCNT1
SCHEMBL30086634 0.88 CCNT1 (0.59) SYKNTRK1NPC1RAB9ACCNT1

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-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
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-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — WO 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 (2 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 SYK 1618/4885NTRK1 147/4885NPC1 3774/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 SYK 1618/4885NTRK1 147/4885NPC1 3774/4885

“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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