SCHEMBL14400643

SCHEMBL14400643

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(CI)c([N+](=O)[O-])c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 7/20 0.37
TP53 P04637 1/20 0.37
RXRA P19793 1/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
JAK2 O60674 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL646803 0.90 MEN1 (0.46) SCDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL647880 0.89 LMNA (0.44) SCDKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL648289 0.88 MAPT (0.43) SCDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL648743 0.86 SCD (0.51) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL646580 0.84 DEGS1 (0.45) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL647067 0.84 IRAK4 (0.49) SCDKMT2AMEN1ALDH1A1MAPT
SCHEMBL14400698 0.83 SCD (0.42) SCDKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL648016 0.83 LIPE (0.43) SCDALDH1A1MAPT
SCHEMBL648071 0.82 MAPT (0.44) ALDH1A1CYP1A2MAPTTP53RXRA
SCHEMBL646969 0.82 MEN1 (0.44) SCDKMT2AMEN1ALDH1A1CYP1A2

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-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 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-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 SCD 4829/4885KMT2A 3225/4885MEN1 4248/4885

“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.