SCHEMBL23887576

SCHEMBL23887576

Fc1cc(F)c(-c2nccc(Nc3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)n2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ BRD4 O60885 2/20 0.47
▸ STK17B O94768 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46
▸ IGF1R P08069 4/20 0.46
▸ PLK4 O00444 2/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ EGFR P00533 2/20 0.45
▸ CDK2 P24941 3/20 0.44
▸ CDK9 P50750 3/20 0.44
▸ WEE1 P30291 2/20 0.44
▸ ACVR1 Q04771 2/20 0.44
▸ CDK7 P50613 2/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL30086730 0.91 PLK4 (0.48) AURKAAURKBBRD4STK17BSTK17A
SCHEMBL23906666 0.91 PLK4 (0.48) AURKAAURKBBRD4STK17BSTK17A
SCHEMBL30086392 0.90 AURKA (0.61) AURKAAURKBIGF1RPLK4JAK2
SCHEMBL23906829 0.90 AURKA (0.61) AURKAAURKBIGF1RPLK4JAK2
SCHEMBL30086472 0.86 IGF1R (0.45) AURKAAURKBBRD4STK17BSTK17A
SCHEMBL23906694 0.86 IGF1R (0.45) AURKAAURKBBRD4STK17BSTK17A
SCHEMBL30086454 0.86 AURKA (0.45) AURKAAURKBBRD4IGF1RPLK4
SCHEMBL23906578 0.86 AURKA (0.45) AURKAAURKBBRD4IGF1RPLK4
SCHEMBL23906607 0.85 AXL (0.46) AURKAAURKBBRD4IGF1RPLK4
SCHEMBL30086484 0.85 AXL (0.46) AURKAAURKBBRD4IGF1RPLK4

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 9 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
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 AURKA 905/4885AURKB 149/4885BRD4 3531/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 AURKA 905/4885AURKB 149/4885BRD4 3531/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 AURKA 905/4885AURKB 149/4885BRD4 3531/4885

“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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