SCHEMBL14773113

SCHEMBL14773113

O=C(Nc1cccc(Nc2cc(Nc3ccc(F)c(CI)c3)ncn2)c1)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ LMNA P02545 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ EGFR P00533 3/20 0.41
▸ MAPT P10636 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ERBB3 P21860 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CCNT1 O60563 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
SCHEMBL14773100 0.87 EGFR (0.47) KMT2AMEN1LMNAEGFRMAPT
SCHEMBL12262296 0.86 KMT2A (0.52) KMT2AMEN1LMNAL3MBTL1EGFR
SCHEMBL14773111 0.83 GRM4 (0.40) LMNAEGFRERBB3ALDH1A1POLB
SCHEMBL14773074 0.83 LCLAT1 (0.42) KMT2AMEN1L3MBTL1EGFRMAPT
SCHEMBL14773096 0.81 CCNT1 (0.42) EGFRERBB3CCNT1CDK9
SCHEMBL14773110 0.79 LCK (0.47) KMT2AMEN1EGFRMAPTP2RX1
SCHEMBL14773072 0.77 EGFR (0.63) EGFR
SCHEMBL14773095 0.74 BACE1 (0.42) EGFRERBB3
SCHEMBL12262291 0.73 EGFR (0.62) KMT2AMEN1LMNAEGFRMAPT
SCHEMBL14773112 0.72 MET (0.46) EGFRERBB3

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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — 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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KMT2A 3318/4885MEN1 606/4885LMNA 2409/4885

“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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