SCHEMBL23906607

SCHEMBL23906607

CN(C)C1CCN(c2ccc(Nc3nccc(Nc4ccnc(-c5cc(Cl)c(F)cc5F)n4)n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.46
▸ BRD4 O60885 3/20 0.45
▸ WEE1 P30291 3/20 0.45
▸ IGF1R P08069 3/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ EGFR P00533 5/20 0.44
▸ JAK2 O60674 3/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ CTSC P53634 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ EPHB4 P54760 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
SCHEMBL30086484 1.00 AXL (0.46) AXLBRD4WEE1IGF1RAURKA
SCHEMBL23906724 0.91 JAK2 (0.48) AXLBRD4WEE1IGF1RAURKA
SCHEMBL30086522 0.91 JAK2 (0.48) AXLBRD4WEE1IGF1RAURKA
SCHEMBL30086454 0.87 AURKA (0.45) BRD4WEE1IGF1RAURKAAURKB
SCHEMBL23906578 0.87 AURKA (0.45) BRD4WEE1IGF1RAURKAAURKB
SCHEMBL23906605 0.86 BRD4 (0.51) BRD4WEE1IGF1RAURKAAURKB
SCHEMBL30086559 0.86 BRD4 (0.51) BRD4WEE1IGF1RAURKAAURKB
SCHEMBL23906829 0.86 AURKA (0.61) IGF1RAURKAAURKBJAK2JAK3
SCHEMBL30086392 0.86 AURKA (0.61) IGF1RAURKAAURKBJAK2JAK3
SCHEMBL23887576 0.85 AURKA (0.48) BRD4WEE1IGF1RAURKAAURKB

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 AXL 1227/4885BRD4 3531/4885WEE1 715/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 AXL 1227/4885BRD4 3531/4885WEE1 715/4885

“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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