SCHEMBL31377604

SCHEMBL31377604

COc1cc2ncnc(Cl)c2cc1OC1CC2CCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.49
EPHA2 P29317 3/20 0.49
KDR P35968 3/20 0.49
EPHB4 P54760 3/20 0.49
FLT1 P17948 2/20 0.49
GPR119 Q8TDV5 6/20 0.49
ENPP1 P22413 2/20 0.45
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
EGFR P00533 4/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BRAF P15056 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL30639974 1.00 ERBB2 (0.49) ERBB2EPHA2KDREPHB4FLT1
SCHEMBL30639977 1.00 ERBB2 (0.49) ERBB2EPHA2KDREPHB4FLT1
SCHEMBL30264691 0.96 EPHA2 (0.46) ERBB2EPHA2KDREPHB4FLT1
SCHEMBL29465790 0.85 PIK3CD (0.54) ERBB2EPHA2KDREPHB4PIK3CD
SCHEMBL29465791 0.85 PIK3CD (0.54) ERBB2EPHA2KDREPHB4PIK3CD
SCHEMBL665187 0.85 PIK3CD (0.54) ERBB2EPHA2KDREPHB4PIK3CD
SCHEMBL2453138 0.85 PIK3CD (0.54) ERBB2EPHA2KDREPHB4PIK3CD
SCHEMBL22598590 0.85 PIK3CD (0.51) ERBB2EPHA2EPHB4ENPP1PIK3CD
SCHEMBL29465805 0.85 PIK3CD (0.51) ERBB2EPHA2EPHB4ENPP1PIK3CD
SCHEMBL17179572 0.85 ERBB2 (0.49) ERBB2EPHA2KDREPHB4FLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206760-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-06-26 US disclosed
EP-4501925-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2025-02-05 EP 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 (1 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-20250206760-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF WEE1, WEE2, ERBB2 ERBB2 3/4885EPHA2 2321/4885KDR 181/4885

“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.