SCHEMBL3112659

SCHEMBL3112659

COc1ccc(N(C)c2nc(CN)nc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ABCG2 Q9UNQ0 4/20 0.44
▸ EGFR P00533 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43

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
Hydrochloric Acid SCHEMBL3115932 0.89 MEN1 (0.46) MEN1KMT2AABCG2EGFRPDGFRB
SCHEMBL3109889 0.85 KDR (0.61) MEN1KMT2AABCG2EGFRPDGFRB
SCHEMBL2260830 0.84 EGFR (0.62) MEN1KMT2AABCG2EGFRPDGFRB
SCHEMBL2257873 0.84 MEN1 (0.49) MEN1KMT2AABCG2EGFRPDGFRB
SCHEMBL3117704 0.82 EGFR (0.48) EGFRPDGFRBKDRCSF1R
SCHEMBL2256400 0.82 MEN1 (0.50) MEN1KMT2AABCG2EGFRPDGFRB
Hydrochloric Acid SCHEMBL3120820 0.81 EGFR (0.47) EGFRPDGFRBKDRCSF1R
SCHEMBL3115080 0.81 EGFR (0.47) EGFRPDGFRBKDRCSF1R
SCHEMBL3114738 0.81 EGFR (0.47) MEN1KMT2AEGFRPDGFRBKDR
Hydrochloric Acid SCHEMBL3113777 0.81 EGFR (0.46) EGFRPDGFRBKDRCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — 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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX MEN1 2032/4885KMT2A 4023/4885ABCG2 1441/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MEN1 1979/4885KMT2A 3742/4885ABCG2 1404/4885

“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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