SCHEMBL30086328

SCHEMBL30086328

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)n2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 3/20 0.65
▸ IGF1R P08069 5/20 0.64
▸ AURKA O14965 4/20 0.58
▸ AURKB Q96GD4 3/20 0.58
▸ PLK1 P53350 1/20 0.57
▸ JAK2 O60674 6/20 0.55
▸ JAK3 P52333 3/20 0.55
▸ MAPK8 P45983 2/20 0.55
▸ CDK4 P11802 2/20 0.52
▸ CDK2 P24941 2/20 0.52
▸ EGFR P00533 2/20 0.52
▸ KDR P35968 2/20 0.52
▸ PTK2 Q05397 2/20 0.52
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ EPHB4 P54760 2/20 0.51
▸ CDC7 O00311 1/20 0.51
▸ CIT O14578 1/20 0.51
▸ CHEK1 O14757 1/20 0.51

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
SCHEMBL23887678 1.00 PLK4 (0.65) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL25269921 0.92 PLK4 (0.67) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL30086502 0.92 PLK4 (0.67) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL30086696 0.91 PLK4 (0.54) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL23906665 0.91 PLK4 (0.54) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL23906886 0.90 JAK2 (0.66) PLK4IGF1RAURKAAURKBJAK2
SCHEMBL30086423 0.90 JAK2 (0.66) PLK4IGF1RAURKAAURKBJAK2
SCHEMBL30086476 0.89 CDK4 (0.51) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL23906230 0.89 CDK4 (0.51) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL23887589 0.89 JAK2 (0.52) PLK4IGF1RAURKAAURKBPLK1

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-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

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 PLK4 1890/4885IGF1R 558/4885AURKA 905/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 PLK4 1890/4885IGF1R 558/4885AURKA 905/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 PLK4 1890/4885IGF1R 558/4885AURKA 905/4885

“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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