SCHEMBL23906574

SCHEMBL23906574

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc5c(c4)NCCC5)n3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 2/20 0.41
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ SYK P43405 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ TGFBR1 P36897 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ TERT O14746 1/20 0.37
▸ DOT1L Q8TEK3 1/20 0.37
▸ PLK1 P53350 2/20 0.37
▸ TGFBR2 P37173 1/20 0.36
▸ AURKA O14965 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
SCHEMBL30086276 1.00 WEE1 (0.41) WEE1JAK2JAK3EGFRSYK
SCHEMBL23906925 0.93 WEE1 (0.41) WEE1JAK2JAK3EGFRSYK
SCHEMBL30086707 0.93 WEE1 (0.41) WEE1JAK2JAK3EGFRSYK
SCHEMBL30086651 0.85 ACVR1 (0.44) WEE1JAK2JAK3EGFRSYK
SCHEMBL23887623 0.85 ACVR1 (0.44) WEE1JAK2JAK3EGFRSYK
SCHEMBL23906276 0.83 BTK (0.49) WEE1IGF1R
SCHEMBL30086810 0.83 BTK (0.49) WEE1IGF1R
SCHEMBL25222695 0.79 IGF1R (0.46) JAK2JAK3EGFRSYKKDR
SCHEMBL30086467 0.79 IGF1R (0.46) JAK2JAK3EGFRSYKKDR
SCHEMBL23906564 0.78 AURKA (0.48) JAK2JAK3EGFRSYKKDR

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 WEE1 715/4885JAK2 1187/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885JAK2 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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