SCHEMBL13472575

SCHEMBL13472575

Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
LMNA P02545 5/20 0.60
MAPK1 P28482 2/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
NPSR1 Q6W5P4 3/20 0.57
POLB P06746 2/20 0.57
XBP1 P17861 1/20 0.57
GAA P10253 3/20 0.55
BRAF P15056 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL27682634 0.96 MAPT (0.63) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL14146755 0.87 KDR (0.67) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL31546657 0.87 MAPT (0.57) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL27923736 0.86 MAPT (0.64) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL10092719 0.85 MAPT (0.59) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL27923735 0.83 MAPT (0.58) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL28547627 0.83 MAPT (0.55) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL2678974 0.83 MAPT (0.62) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL27923738 0.83 MAPT (0.60) MAPTLMNAMAPK1RAB9ANPC1
SCHEMBL4140340 0.81 KIT (0.60) MAPTLMNARAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801584-B Novel aryl amide Raf kinase and its preparation method and application 中国药科大学 2019-03-05 CN disclosed
EP-3231798-A1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2017-10-18 EP disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 US disclosed
US-9556177-B2 Substituted 1,3-thiazoles as synthetic intermediates for preparation of Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
CN-105801584-A Novel aromatic amide Raf kinase inhibitors and preparation method and application thereof 中国药科大学 2016-07-27 CN disclosed
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS XOMA (US) LLC 2015-03-19 US disclosed
US-8802657-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-03-14 US disclosed
US-8293752-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-23 US disclosed
US-8293752-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-23 US disclosed
US-20090036419-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
US-20090036419-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
WO-2009006389-A2 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO 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 (4 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-20090036419-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPT 3659/4885LMNA 3725/4885MAPK1 327/4885
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF MAPT 3659/4885LMNA 3725/4885MAPK1 327/4885
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPT 3659/4885LMNA 3725/4885MAPK1 327/4885
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPT 3659/4885LMNA 3725/4885MAPK1 327/4885

“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.