SCHEMBL26528036

SCHEMBL26528036

N#CC[C@H]1CN(c2nc(Cl)nc3cc[nH]c23)CCN1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.31
▸ PIK3CA P42336 4/20 0.31
▸ MTOR P42345 4/20 0.31

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
SCHEMBL29697727 0.78 HRH4 (0.34) —
SCHEMBL24580208 0.78 HRH4 (0.34) —
SCHEMBL26612701 0.78 HRH4 (0.34) —
SCHEMBL28487072 0.77 — —
SCHEMBL26122612 0.76 KRAS (0.34) PIK3CAMTOR
SCHEMBL26122602 0.76 KRAS (0.34) PIK3CAMTOR
SCHEMBL26528236 0.74 HTR6 (0.52) HTR6PIK3CAMTOR
SCHEMBL19637232 0.73 NUDT1 (0.33) —
SCHEMBL23841610 0.73 — —
SCHEMBL23206634 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 — — 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 (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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS HTR6 4691/4885PIK3CA 36/4885MTOR 503/4885

“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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