SCHEMBL30086707

SCHEMBL30086707

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc5c(c4)CCCN5)n3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.41
▸ EGFR P00533 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ PLK1 P53350 2/20 0.39
▸ KDR P35968 3/20 0.38
▸ SYK P43405 2/20 0.38
▸ AURKA O14965 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ INSR P06213 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TERT O14746 1/20 0.37
▸ DOT1L Q8TEK3 1/20 0.37
▸ NEK1 Q96PY6 1/20 0.36

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
SCHEMBL23906925 1.00 WEE1 (0.41) WEE1EGFRJAK2JAK3PLK1
SCHEMBL23906574 0.93 WEE1 (0.41) WEE1EGFRJAK2JAK3PLK1
SCHEMBL30086276 0.93 WEE1 (0.41) WEE1EGFRJAK2JAK3PLK1
SCHEMBL30086651 0.85 ACVR1 (0.44) WEE1EGFRJAK2JAK3PLK1
SCHEMBL23887623 0.85 ACVR1 (0.44) WEE1EGFRJAK2JAK3PLK1
SCHEMBL23906276 0.83 BTK (0.49) WEE1IGF1R
SCHEMBL30086810 0.83 BTK (0.49) WEE1IGF1R
SCHEMBL25222695 0.79 IGF1R (0.46) EGFRJAK2JAK3PLK1KDR
SCHEMBL30086467 0.79 IGF1R (0.46) EGFRJAK2JAK3PLK1KDR
SCHEMBL23906564 0.78 AURKA (0.48) EGFRJAK2JAK3PLK1KDR

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 WEE1 715/4885EGFR 545/4885JAK2 1187/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 WEE1 715/4885EGFR 545/4885JAK2 1187/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885EGFR 545/4885JAK2 1187/4885

“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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