SCHEMBL30086736

SCHEMBL30086736

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCN(C)CC5)cn4)n3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCND3 P30281 17/20 0.52
▸ CDK6 Q00534 17/20 0.52
▸ CDK4 P11802 14/20 0.52
▸ CCND1 P24385 13/20 0.52
▸ CDK9 P50750 11/20 0.52
▸ CCNT1 O60563 7/20 0.52
▸ CDK7 P50613 4/20 0.52
▸ CCNH P51946 4/20 0.52
▸ MNAT1 P51948 2/20 0.52
▸ CDK5 Q00535 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ JAK2 O60674 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ CCNA2 P20248 9/20 0.51
▸ CDK2 P24941 9/20 0.51
▸ CDK1 P06493 4/20 0.51
▸ CCNB1 P14635 3/20 0.51
▸ CCNE1 P24864 4/20 0.50
▸ CCNK O75909 4/20 0.49

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
SCHEMBL23906670 1.00 CCND3 (0.52) CCND3CDK6CDK4CCND1CDK9
SCHEMBL30086476 0.90 CDK4 (0.51) CCND3CDK6CDK4CCND1CDK9
SCHEMBL30086727 0.90 CDK4 (0.57) CCND3CDK6CDK4CCND1CDK9
SCHEMBL23906230 0.90 CDK4 (0.51) CCND3CDK6CDK4CCND1CDK9
SCHEMBL23887682 0.90 CDK4 (0.57) CCND3CDK6CDK4CCND1CDK9
SCHEMBL23906886 0.88 JAK2 (0.66) CDK4JAK2EGFRJAK3CDK2
SCHEMBL30086423 0.88 JAK2 (0.66) CDK4JAK2EGFRJAK3CDK2
SCHEMBL23906595 0.85 JAK2 (0.61) CDK9CCNT1CDK7CCNHMNAT1
SCHEMBL30086477 0.85 JAK2 (0.61) CDK9CCNT1CDK7CCNHMNAT1
SCHEMBL23906844 0.81 JAK2 (0.64) CDK4JAK2EGFRJAK3CDK2

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 CCND3 3288/4885CDK6 291/4885CDK4 937/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 CCND3 3288/4885CDK6 291/4885CDK4 937/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CCND3 3288/4885CDK6 291/4885CDK4 937/4885

“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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