SCHEMBL23887682

SCHEMBL23887682

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCNCC5)cn4)n3)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 18/20 0.57
▸ CCND1 P24385 18/20 0.57
▸ CDK6 Q00534 11/20 0.53
▸ CDK1 P06493 10/20 0.53
▸ CCNB1 P14635 10/20 0.53
▸ CCND3 P30281 8/20 0.53
▸ CDK9 P50750 7/20 0.53
▸ CCNT1 O60563 6/20 0.53
▸ CDK7 P50613 6/20 0.53
▸ CCNH P51946 6/20 0.53
▸ CCNA2 P20248 9/20 0.52
▸ CDK2 P24941 9/20 0.52
▸ CCNA1 P78396 4/20 0.52
▸ CCNK O75909 1/20 0.49
▸ FLT3 P36888 1/20 0.48

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
SCHEMBL30086727 1.00 CDK4 (0.57) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL23906670 0.90 CCND3 (0.52) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL30086736 0.90 CCND3 (0.52) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL30086476 0.89 CDK4 (0.51) CDK4CCND1CDK6CCND3CDK9
SCHEMBL23906230 0.89 CDK4 (0.51) CDK4CCND1CDK6CCND3CDK9
SCHEMBL23887589 0.89 JAK2 (0.52) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL30086621 0.89 JAK2 (0.52) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL25268370 0.85 JAK2 (0.48) CDK4CCND1CDK1CCNB1CCND3
SCHEMBL30086391 0.85 JAK2 (0.48) CDK4CCND1CDK1CCNB1CCND3
SCHEMBL25263571 0.85 CAMK2D (0.53) CDK1CCNB1CDK9CCNT1CDK7

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 10 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
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
EP-4126824-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE Theravance Biopharma R&D IP, LLC (US) 2023-02-08 — — EP disclosed
CN-115443269-A Substituted pyrimidines and methods of use 施万生物制药研发IP有限责任公司 2022-12-06 — — CN disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — WO 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 (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 CDK4 937/4885CCND1 4073/4885CDK6 291/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 CDK4 937/4885CCND1 4073/4885CDK6 291/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CDK4 937/4885CCND1 4073/4885CDK6 291/4885

“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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