SCHEMBL23906597

SCHEMBL23906597

Cc1nc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)n2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.62
▸ PLK4 O00444 6/20 0.60
▸ PLK1 P53350 1/20 0.55
▸ AURKA O14965 5/20 0.54
▸ AURKB Q96GD4 4/20 0.54
▸ CDK4 P11802 3/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ JAK2 O60674 4/20 0.52
▸ CDK1 P06493 2/20 0.52
▸ MAPK8 P45983 2/20 0.52
▸ CDK9 P50750 2/20 0.52
▸ SYK P43405 2/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ EPHB4 P54760 2/20 0.52
▸ CDC7 O00311 1/20 0.52
▸ CIT O14578 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ GAK O14976 1/20 0.52
▸ EPHB6 O15197 1/20 0.52
▸ PDPK1 O15530 1/20 0.52

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
SCHEMBL30086456 1.00 IGF1R (0.62) IGF1RPLK4PLK1AURKAAURKB
SCHEMBL23887584 0.88 PLK4 (0.59) IGF1RPLK4PLK1AURKAAURKB
SCHEMBL30086488 0.88 PLK4 (0.59) IGF1RPLK4PLK1AURKAAURKB
SCHEMBL30086328 0.84 PLK4 (0.65) IGF1RPLK4PLK1AURKAAURKB
SCHEMBL23887678 0.84 PLK4 (0.65) IGF1RPLK4PLK1AURKAAURKB
SCHEMBL23906638 0.84 EGFR (0.49) IGF1RPLK4CDK4CDK2JAK2
SCHEMBL30086668 0.84 EGFR (0.49) IGF1RPLK4CDK4CDK2JAK2
SCHEMBL23906669 0.81 PLK4 (0.69) IGF1RPLK4PLK1AURKAAURKB
SCHEMBL30086409 0.81 PLK4 (0.69) IGF1RPLK4PLK1AURKAAURKB
SCHEMBL14079289 0.81 PLK4 (0.69) IGF1RPLK4PLK1AURKAAURKB

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 IGF1R 558/4885PLK4 1890/4885PLK1 471/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IGF1R 558/4885PLK4 1890/4885PLK1 471/4885

“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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