SCHEMBL23906540

SCHEMBL23906540

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCC(N6CCN(C)CC6)CC5)cc4)n3)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.55
▸ JAK2 O60674 4/20 0.55
▸ JAK3 P52333 3/20 0.55
▸ WEE1 P30291 4/20 0.52
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ IGF1R P08069 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK4 P11802 2/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ MET P08581 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PRKCA P17252 1/20 0.43

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
SCHEMBL30086622 1.00 EGFR (0.55) EGFRJAK2JAK3WEE1PDGFRB
SCHEMBL23906567 0.94 JAK2 (0.48) EGFRJAK2JAK3WEE1IGF1R
SCHEMBL30086198 0.94 JAK2 (0.48) EGFRJAK2JAK3WEE1IGF1R
SCHEMBL30086971 0.93 JAK2 (0.52) EGFRJAK2JAK3WEE1BRD4
SCHEMBL23906688 0.93 JAK2 (0.52) EGFRJAK2JAK3WEE1BRD4
SCHEMBL23906665 0.91 PLK4 (0.54) EGFRJAK2JAK3IGF1RPLK4
SCHEMBL30086696 0.91 PLK4 (0.54) EGFRJAK2JAK3IGF1RPLK4
SCHEMBL23906886 0.91 JAK2 (0.66) EGFRJAK2JAK3WEE1BRD4
SCHEMBL30086423 0.91 JAK2 (0.66) EGFRJAK2JAK3WEE1BRD4
SCHEMBL23906815 0.87 JAK2 (0.49) EGFRJAK2JAK3WEE1BRD4

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 EGFR 545/4885JAK2 1187/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 EGFR 545/4885JAK2 1187/4885JAK3 1474/4885

“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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