SCHEMBL14402939

SCHEMBL14402939

C=C(C)c1cc(NC(=O)Nc2ccc(Sc3ccncc3)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.49
MAPK14 Q16539 2/20 0.48
FLT3 P36888 5/20 0.47
RIPK2 O43353 1/20 0.47
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 2/20 0.41
GBA1 P04062 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
CSF1R P07333 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL14402898 0.81 RAF1 (0.48) RAF1MAPK14FLT3RIPK2RAB9A
SCHEMBL668678 0.80 FLT3 (0.73) RAF1MAPK14FLT3RIPK2RAB9A
SCHEMBL5575753 0.73 MAPK14 (0.49) RAF1MAPK14FLT3RIPK2RAB9A
SCHEMBL16870271 0.72 MAPK14 (0.55) MAPK14RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL667588 0.72 RAF1 (0.72) RAF1MAPK14FLT3RIPK2ALDH1A1
SCHEMBL5006752 0.71 MAPK14 (0.57) RAF1MAPK14FLT3RIPK2RAB9A
SCHEMBL668089 0.70 MEN1 (0.63) RAF1MAPK14FLT3RIPK2RAB9A
SCHEMBL5576199 0.69 RAF1 (0.58) RAF1MAPK14FLT3RIPK2RAB9A
SCHEMBL13972318 0.69 RAF1 (0.48) RAF1MAPK14RIPK2ALDH1A1KMT2A
SCHEMBL667543 0.68 FLT3 (0.61) RAF1MAPK14FLT3RIPK2RAB9A

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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF RAF1 2/4885MAPK14 127/4885FLT3 131/4885

“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.