SCHEMBL30086450

SCHEMBL30086450

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCOCC5)c(F)c4)n3)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.51
▸ JAK3 P52333 5/20 0.51
▸ IGF1R P08069 4/20 0.50
▸ PLK4 O00444 1/20 0.48
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ EGFR P00533 3/20 0.45
▸ SYK P43405 1/20 0.45
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ SMG1 Q96Q15 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PLK1 P53350 1/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 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
SCHEMBL23906917 1.00 JAK2 (0.51) JAK2JAK3IGF1RPLK4JAK1
SCHEMBL23906562 0.90 ACVR1 (0.49) JAK2JAK3JAK1TYK2EGFR
SCHEMBL30086398 0.90 ACVR1 (0.49) JAK2JAK3JAK1TYK2EGFR
SCHEMBL30086588 0.88 JAK3 (0.45) JAK2JAK3IGF1RJAK1EGFR
SCHEMBL23906239 0.88 IGF1R (0.63) JAK2JAK3IGF1RPLK4SYK
SCHEMBL30086558 0.88 IGF1R (0.63) JAK2JAK3IGF1RPLK4SYK
SCHEMBL25220170 0.88 JAK3 (0.45) JAK2JAK3IGF1RJAK1EGFR
SCHEMBL23906911 0.86 IGF1R (0.44) JAK2JAK3IGF1RPLK4TYK2
SCHEMBL30086609 0.86 IGF1R (0.44) JAK2JAK3IGF1RPLK4TYK2
SCHEMBL23887678 0.86 PLK4 (0.65) JAK2JAK3IGF1RPLK4JAK1

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 1187/4885JAK3 1474/4885IGF1R 558/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 JAK2 1187/4885JAK3 1474/4885IGF1R 558/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885JAK3 1474/4885IGF1R 558/4885

“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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