SCHEMBL17782830

SCHEMBL17782830

Cn1c(-c2cccc(C(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21.Cn1c(-c2cccc(OC(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.91
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CFTR P13569 2/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL16365889 0.95 KIT (1.00) KITMEN1KMT2ARAB9ANPC1
SCHEMBL16365883 0.94 KIT (1.00) KITMEN1KMT2ARAB9ANPC1
SCHEMBL16321030 0.85 KIT (1.00) KITMEN1KMT2ARAB9ANPC1
SCHEMBL16365885 0.84 KIT (0.95) KITNPC1
SCHEMBL16365886 0.82 KIT (1.00) KITMEN1KMT2ARAB9ANPC1
SCHEMBL17782803 0.81 KIT (0.95) KITMEN1KMT2ANPC1
SCHEMBL16365888 0.81 KIT (1.00) KITMEN1KMT2ARAB9ANPC1
SCHEMBL23554025 0.78 VCP (0.65) KITMEN1KMT2ARAB9ANPC1
SCHEMBL206252 0.78 KIT (0.71) KITMEN1KMT2ARAB9ANPC1
SCHEMBL16320951 0.77 KIT (0.68) KITMEN1KMT2ARAB9ANPC1

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-20160152608-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEINE KINASE INHIBITORS AB SCIENCE (FR) 2016-06-02 US claimed

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-20160152608-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEINE KINASE INHIBITORS KIT, CHUK, CSNK1E KIT 1/4885MEN1 3086/4885KMT2A 699/4885

“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.