SCHEMBL23906876

SCHEMBL23906876

CNC1CCN(c2ccc(Nc3nccc(Nc4ccnc(-c5ccccc5F)n4)n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 3/20 0.50
▸ IGF1R P08069 4/20 0.46
▸ AURKA O14965 4/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ EGFR P00533 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL30086415 1.00 PLK4 (0.50) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906843 0.89 IGF1R (0.46) PLK4IGF1RAURKAAURKBEGFR
SCHEMBL30086287 0.89 IGF1R (0.46) PLK4IGF1RAURKAAURKBEGFR
SCHEMBL30086709 0.86 EGFR (0.51) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906262 0.86 EGFR (0.51) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906669 0.85 PLK4 (0.69) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL30086409 0.85 PLK4 (0.69) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL23906603 0.81 JAK2 (0.49) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL30086256 0.81 JAK2 (0.49) PLK4IGF1RAURKAAURKBMAPK8
SCHEMBL25217699 0.81 IGF1R (0.48) PLK4IGF1RAURKAAURKBMAPK8

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 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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