SCHEMBL30961075

SCHEMBL30961075

Nc1ccc2c(Nc3ccccc3)nc3nncn3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ EGFR P00533 2/20 0.44
▸ HCRTR1 O43613 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL23576813 0.85 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDMAPK1HSD17B10
SCHEMBL30960999 0.85 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDMAPK1HSD17B10
SCHEMBL30979084 0.82 TOP2A (0.43) KDM4EMAPTTP53RXFP1KMT2A
SCHEMBL30979090 0.77 KDM4E (0.39) SMN1; SMN2LMNAKDM4EMAPTKMT2A
SCHEMBL30979076 0.77 EGFR (0.42) LMNAEGFRKDM4EMAPTGAA
SCHEMBL23600979 0.73 EGFR (0.44) SMN1; SMN2EGFRMAPT
SCHEMBL23577077 0.72 ALOX15 (0.36) SMN1; SMN2HPGDEGFRKDM4EMAPT
SCHEMBL30961007 0.72 ALOX15 (0.36) SMN1; SMN2HPGDEGFRKDM4EMAPT
SCHEMBL23577063 0.69 ABCG2 (0.38) MAPK1EGFRABCG2ALDH1A1
SCHEMBL29909869 0.69 ABCG2 (0.38) MAPK1EGFRABCG2ALDH1A1

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 SMN1; SMN2 4737/4885LMNA 4186/4885HPGD 1831/4885

“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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