SCHEMBL30086702

SCHEMBL30086702

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCN(CCN)CC5)cc4)n3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.52
▸ EGFR P00533 3/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ IGF1R P08069 3/20 0.46
▸ PLK4 O00444 2/20 0.46
▸ WEE1 P30291 2/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ ACVR1 Q04771 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
SCHEMBL23906820 1.00 JAK2 (0.52) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL25220850 0.91 EGFR (0.52) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL30086307 0.91 EGFR (0.52) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL30086814 0.90 JAK2 (0.52) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL23906627 0.90 JAK2 (0.52) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL23906242 0.90 WEE1 (0.57) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL30086722 0.90 WEE1 (0.57) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL23906886 0.89 JAK2 (0.66) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL30086423 0.89 JAK2 (0.66) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL23906931 0.88 JAK2 (0.50) JAK2EGFRJAK3IGF1RPLK4

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 3 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-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — US 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 JAK2 1187/4885EGFR 545/4885JAK3 1474/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 JAK2 1187/4885EGFR 545/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885EGFR 545/4885JAK3 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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