SCHEMBL937085

SCHEMBL937085

CCC(C)(C)c1nnc(NC(=O)Nc2cccc(Sc3ccncc3)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MCL1 Q07820 3/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
PAX8 Q06710 2/20 0.48
POLB P06746 2/20 0.48
DYRK1A Q13627 1/20 0.48
HPGD P15428 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
RAF1 P04049 1/20 0.48
ALDH1A1 P00352 2/20 0.46
BLM P54132 7/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 4/20 0.45
WRN Q14191 2/20 0.43
MEN1 O00255 4/20 0.42

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
SCHEMBL668592 0.77 MAPK14 (0.55) SMN1; SMN2RAF1ALDH1A1KMT2A
SCHEMBL933695 0.76 RAF1 (0.80) HTTSMN1; SMN2MCL1KDM4EPOLB
SCHEMBL5571965 0.72 BRAF (0.53) SMN1; SMN2RAF1ALDH1A1KMT2A
SCHEMBL24233007 0.70 MCL1 (0.71) LMNAHTTSMN1; SMN2MCL1KDM4E
SCHEMBL668089 0.70 MEN1 (0.63) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL5010903 0.70 RAF1 (0.51) LMNASMN1; SMN2GAAPOLBRAF1
SCHEMBL24232996 0.70 MCL1 (0.70) LMNAHTTSMN1; SMN2MCL1KDM4E
SCHEMBL667132 0.69 MAPK14 (0.80) LMNARAF1MAPT
SCHEMBL5575766 0.69 RAF1 (0.61) SMN1; SMN2RAF1ALDH1A1KMT2A
SCHEMBL667125 0.69 MAPK14 (0.50) SMN1; SMN2POLBRAF1ALDH1A1NPC1

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 LMNA 4455/4885HTT 992/4885SMN1; SMN2 4480/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR LMNA 4455/4885HTT 992/4885SMN1; SMN2 4480/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR LMNA 4455/4885HTT 992/4885SMN1; SMN2 4480/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR LMNA 4455/4885HTT 992/4885SMN1; SMN2 4480/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR LMNA 4686/4885HTT 1791/4885SMN1; SMN2 4628/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR LMNA 4455/4885HTT 992/4885SMN1; 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.