SCHEMBL14773100

SCHEMBL14773100

O=C(Nc1cccc(Nc2cc(Nc3ccc(F)c(CI)c3)ncn2)c1)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.47
▸ PPARG P37231 2/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TNNI3K Q59H18 1/20 0.41
▸ MITF O75030 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TP53 P04637 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
SCHEMBL14773113 0.87 KMT2A (0.42) EGFRCCNT1CDK9MAPTSMN1; SMN2
SCHEMBL12262291 0.86 EGFR (0.62) EGFRPPARGMAPTSMN1; SMN2RAB9A
SCHEMBL14773096 0.83 CCNT1 (0.42) EGFRCCNT1CDK9KDR
SCHEMBL14773110 0.83 LCK (0.47) EGFRMAPTMEN1KMT2AHTT
SCHEMBL14773074 0.81 LCLAT1 (0.42) EGFRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14773111 0.79 GRM4 (0.40) EGFRALDH1A1LMNAKDR
SCHEMBL14773072 0.77 EGFR (0.63) EGFR
SCHEMBL14773095 0.75 BACE1 (0.42) EGFRKDR
SCHEMBL2568462 0.74 MAPT (0.58) PPARGMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12262296 0.73 KMT2A (0.52) EGFRMAPTNPC1RAB9AMEN1

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 EGFR 1981/4885PPARG 348/4885CCNT1 4285/4885

“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.

Send feedback