SCHEMBL3109728

SCHEMBL3109728

CNc1ccc(N(C)c2nc(C)nc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ EGFR P00533 3/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2256621 0.88 ABCG2 (0.51) ABCG2ALDH1A1KMT2AMEN1EGFR
SCHEMBL3109889 0.84 KDR (0.61) ABCG2ALDH1A1KMT2AMEN1EGFR
SCHEMBL3107561 0.81 PDGFRB (0.55) ABCG2ALDH1A1KMT2AMEN1EGFR
SCHEMBL3110929 0.81 PDGFRB (0.55) ABCG2KMT2AMEN1EGFRPDGFRB
SCHEMBL3116903 0.81 KDR (0.46) ABCG2ALDH1A1KMT2AMEN1EGFR
SCHEMBL2263021 0.80 EGFR (0.55) ABCG2ALDH1A1KMT2AMEN1EGFR
SCHEMBL3113560 0.80 EGFR (0.49) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3108708 0.78 ABCG2 (0.73) ABCG2ALDH1A1KMT2AMEN1EGFR
SCHEMBL3107580 0.78 EGFR (0.47) ABCG2ALDH1A1KMT2AMEN1EGFR
SCHEMBL2256400 0.77 MEN1 (0.50) ABCG2ALDH1A1KMT2AMEN1EGFR

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 ABCG2 1441/4885ALDH1A1 1143/4885RECQL 1737/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ABCG2 1404/4885ALDH1A1 1131/4885RECQL 1884/4885

“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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