SCHEMBL938112

SCHEMBL938112

CC(C)(C)c1cc(NN(C=O)c2cccc(Sc3ccncc3)c2)no1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.41
FLT3 P36888 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RIPK2 O43353 1/20 0.37
BRAF P15056 6/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.33

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
SCHEMBL937472 0.85 RAF1 (0.45) RAF1FLT3SMN1; SMN2BRAFNPC1
SCHEMBL937135 0.83 RAF1 (0.37) RAF1BRAFMAPK14MAPK13
SCHEMBL937527 0.77 MAPT (0.36) RAF1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL939286 0.77 MAPK14 (0.33) MAPK14
SCHEMBL668089 0.73 MEN1 (0.63) RAF1FLT3RIPK2BRAFNPC1
SCHEMBL939124 0.72 RAF1 (0.43) RAF1RIPK2MAPK14MAPK13
SCHEMBL937005 0.70 RAF1 (0.60) RAF1BRAFMAPK14MAPK13
SCHEMBL937919 0.70 ALDH1A1 (0.38) RAF1BRAFMAPK14MAPK13
SCHEMBL668678 0.68 FLT3 (0.73) RAF1FLT3RIPK2NPC1RAB9A
SCHEMBL6049862 0.64 RAF1 (0.43) RAF1FLT3SMN1; SMN2RIPK2NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US claimed
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2020-05-19 US disclosed
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2018-10-18 US disclosed
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2016-01-21 US disclosed
US-8618141-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE LLC (US) 2013-12-31 US disclosed
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-11-15 US disclosed
US-8242147-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2012-08-14 US disclosed
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP disclosed
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY DUMAS JACQUES 2011-01-20 US disclosed
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US disclosed
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity BAYER HEALTHCARE LLC 2008-09-18 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 (6 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-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885FLT3 200/4885SMN1; SMN2 4480/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR RAF1 867/4885FLT3 200/4885SMN1; SMN2 4480/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885FLT3 200/4885SMN1; SMN2 4480/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR RAF1 867/4885FLT3 200/4885SMN1; SMN2 4480/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR RAF1 817/4885FLT3 140/4885SMN1; SMN2 4628/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885FLT3 200/4885SMN1; SMN2 4480/4885

“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.