SCHEMBL937074

SCHEMBL937074

CC(C)(C)c1nnc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 1.00
RAB9A P51151 6/20 0.74
MAPT P10636 5/20 0.74
NPC1 O15118 4/20 0.74
KMT2A Q03164 4/20 0.58
HTT P42858 4/20 0.58
MEN1 O00255 3/20 0.58
KDM4E B2RXH2 3/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
RIPK2 O43353 1/20 0.56
MAPK13 O15264 2/20 0.55
TP53 P04637 1/20 0.51
BLM P54132 3/20 0.49
MCL1 Q07820 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49

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
SCHEMBL933695 0.89 RAF1 (0.80) RAF1RAB9AMAPTNPC1KMT2A
SCHEMBL668629 0.80 RAF1 (0.67) RAF1RAB9AMAPTNPC1KMT2A
SCHEMBL11714626 0.79 RAB9A (0.75) RAF1RAB9AMAPTNPC1KMT2A
SCHEMBL5350135 0.76 RAF1 (0.61) RAF1RAB9AMAPTNPC1KDR
SCHEMBL13603107 0.76 RAF1 (0.60) RAF1RAB9AMAPTNPC1KMT2A
SCHEMBL3176437 0.75 RAF1 (0.64) RAF1RAB9ANPC1KMT2AMEN1
SCHEMBL667633 0.75 RAF1 (0.62) RAF1RIPK2MAPK13BRAFKDR
SCHEMBL937755 0.74 MAPT (0.60) RAF1RAB9AMAPTNPC1KMT2A
SCHEMBL6372797 0.74 RAB9A (0.79) RAF1RAB9AMAPTNPC1KMT2A
SCHEMBL8563911 0.74 RAB9A (0.74) RAF1RAB9AMAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP claimed
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 867/4885RAB9A 2442/4885MAPT 1945/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR RAF1 867/4885RAB9A 2442/4885MAPT 1945/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885RAB9A 2442/4885MAPT 1945/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR RAF1 867/4885RAB9A 2442/4885MAPT 1945/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR RAF1 817/4885RAB9A 2071/4885MAPT 2172/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885RAB9A 2442/4885MAPT 1945/4885

“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.