SCHEMBL937527

SCHEMBL937527

CC(C)(C)c1nnc(NN(C=O)c2cccc(Sc3ccncc3)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
RAF1 P04049 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL938112 0.77 RAF1 (0.41) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL939286 0.76 MAPK14 (0.33)
SCHEMBL937085 0.64 LMNA (0.48) MAPTRAF1NPC1RAB9AALDH1A1
SCHEMBL937472 0.64 RAF1 (0.45) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL937919 0.62 ALDH1A1 (0.38) RAF1ALDH1A1
SCHEMBL937528 0.61 MAPT (0.40) MAPTRAF1NPC1RAB9AALDH1A1
SCHEMBL9893162 0.57 CA1 (0.53) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL257947 0.57 DDAH1 (0.56) MAPTNPC1RAB9AALDH1A1HPGD
Glybuzole SCHEMBL34401 0.55 ALDH1A1 (0.71) MAPTALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL177707 0.54 DDAH1 (0.56) MAPTNPC1ALDH1A1HPGDMEN1

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 867/4885NPC1 2683/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885NPC1 2683/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885NPC1 2683/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885NPC1 2683/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR MAPT 2172/4885RAF1 817/4885NPC1 2388/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR MAPT 1945/4885RAF1 867/4885NPC1 2683/4885

“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.