SCHEMBL937528

SCHEMBL937528

CC(C)(C)c1nnc(Nc2ccc(C([NH])=O)cc2Sc2ccncc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
RAF1 P04049 2/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
PTGER3 P43115 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE7A Q13946 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
FLT3 P36888 1/20 0.34
ITK Q08881 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL938113 0.76 FLT3 (0.45) MAPTRAF1RAB9ANPC1KDM4E
SCHEMBL939287 0.76 MAPK14 (0.35) SMN1; SMN2PDE7AKITSRCFLT3
SCHEMBL937136 0.76 RAF1 (0.41) RAF1ALDH1A1PDE7AKITSRC
SCHEMBL937527 0.61 MAPT (0.36) MAPTRAF1RAB9ANPC1ALDH1A1
SCHEMBL6257066 0.58 HDAC1 (0.59) MAPTKDM4EPOLBSMN1; SMN2FLT3
SCHEMBL937074 0.57 RAF1 (1.00) MAPTRAF1RAB9ANPC1ALDH1A1
SCHEMBL28578644 0.57 NPC1 (0.63) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL9892978 0.56 SMN1; SMN2 (0.67) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL15867677 0.56 TAS1R3 (0.80) MAPTRAB9ANPC1PTGER3ALDH1A1
SCHEMBL20762679 0.56 SMN1; SMN2 (0.61) MAPTRAF1RAB9ANPC1ALDH1A1

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 MAPT 1945/4885RAF1 867/4885RAB9A 2442/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885RAB9A 2442/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885RAB9A 2442/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885RAB9A 2442/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR MAPT 2172/4885RAF1 817/4885RAB9A 2071/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885RAB9A 2442/4885

“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.