SCHEMBL3110784

SCHEMBL3110784

COc1ccc(N(C)c2nc(C)nc3ccc([N+](=O)[O-])cc23)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ EGFR P00533 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ ABCG2 Q9UNQ0 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL3109889 0.85 KDR (0.61) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL13413782 0.81 KDR (0.47) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL3107580 0.80 EGFR (0.47) AMY1AMEN1KMT2AEGFRPDGFRB
SCHEMBL3114560 0.80 EGFR (0.67) EGFRPDGFRBKDRPDGFRAMAPK1
SCHEMBL2263021 0.79 EGFR (0.55) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL3116903 0.77 KDR (0.46) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL3113207 0.76 KDR (0.61) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL3107561 0.76 PDGFRB (0.55) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL3110929 0.76 PDGFRB (0.55) MEN1KMT2AEGFRPDGFRBKDR
SCHEMBL3111262 0.76 ALDH1A1 (0.42) AMY1AMEN1KMT2AEGFRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US claimed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
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-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — 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
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — 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 AMY1A 4068/4885MEN1 2032/4885KMT2A 4023/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX AMY1A 4412/4885MEN1 1979/4885KMT2A 3742/4885

“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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