SCHEMBL1770959

SCHEMBL1770959

Cc1cc([N+](=O)[O-])c(C)cc1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL17427076 0.82 KDM4E (0.57) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL27816010 0.82 MAPT (0.42) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL12643379 0.79 MAPT (0.69) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29226971 0.79 TSHR (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23080058 0.78 KDM4E (0.58) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL444702 0.77 ALDH1A1 (0.53) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL30776779 0.76 KDM4E (0.55) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL13581443 0.76 KDM4E (0.55) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL11768297 0.74 NPC1 (0.60) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL11046684 0.74 MEN1 (0.56) MAPTNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
CN-102112467-B Pyrimidine derivative as kinase inhibitors IRM LLC 2014-04-30 CN disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
EP-2318392-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-11 EP disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 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 (2 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-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 MAPT 3482/4885NPC1 3518/4885RAB9A 4110/4885
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK MAPT 4046/4885NPC1 3902/4885RAB9A 4356/4885

“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.