SCHEMBL3116903

SCHEMBL3116903

Cc1nc(N(C)c2ccc(OC(F)F)cc2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.46
▸ PDGFRB P09619 6/20 0.46
▸ EGFR P00533 5/20 0.46
▸ PDGFRA P16234 3/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 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
SCHEMBL3110929 0.91 PDGFRB (0.55) KDRPDGFRBEGFRPDGFRAABCG2
SCHEMBL3109889 0.87 KDR (0.61) KDRPDGFRBEGFRPDGFRAABCG2
SCHEMBL2256621 0.84 ABCG2 (0.51) KDRPDGFRBEGFRABCG2MEN1
SCHEMBL3107561 0.84 PDGFRB (0.55) KDRPDGFRBEGFRPDGFRAABCG2
SCHEMBL13413780 0.81 KDR (0.50) KDRPDGFRBEGFRPDGFRAHDAC1
SCHEMBL3109728 0.81 ABCG2 (0.47) KDRPDGFRBEGFRABCG2HDAC1
SCHEMBL2263021 0.79 EGFR (0.55) KDRPDGFRBEGFRPDGFRAABCG2
SCHEMBL3115055 0.79 EGFR (0.72) KDRPDGFRBEGFRPDGFRAHDAC1
SCHEMBL3107580 0.78 EGFR (0.47) KDRPDGFRBEGFRPDGFRAABCG2
SCHEMBL3113207 0.78 KDR (0.61) KDRPDGFRBEGFRPDGFRAABCG2

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 KDR 3722/4885PDGFRB 2783/4885EGFR 3147/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3809/4885PDGFRB 2627/4885EGFR 2648/4885

“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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