SCHEMBL30961086

SCHEMBL30961086

CN(c1ccccc1)c1nc(Cl)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ MAPT P10636 2/20 0.58
▸ ABCG2 Q9UNQ0 3/20 0.55
▸ EGFR P00533 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ CSF1R P07333 1/20 0.45
▸ ELANE P08246 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL23577553 1.00 OPRK1 (0.60) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL30961066 0.91 MAPT (0.57) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL23577599 0.91 MAPT (0.57) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL2260830 0.87 EGFR (0.62) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL3106139 0.86 ABCG2 (0.72) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL24721300 0.85 ABCG2 (0.75) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL29909639 0.85 ABCG2 (0.75) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL23601761 0.83 ABCG2 (0.62) OPRK1KMT2AMAPTABCG2EGFR
SCHEMBL30960996 0.82 ABCG2 (0.52) OPRK1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL23576951 0.82 ABCG2 (0.52) OPRK1KMT2AMAPTABCG2SMN1; SMN2

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-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 — — 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-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK OPRK1 1932/4885KMT2A 2566/4885MAPT 4206/4885

“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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