SCHEMBL2368600

SCHEMBL2368600

N#Cc1ccc([N+](=O)[O-])c(OC(CF)CF)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.47
MAPT P10636 5/20 0.43
MERTK Q12866 2/20 0.41
KAT2B Q92831 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MKNK2 Q9HBH9 3/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESRRA P11474 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL15174209 0.84 VCAM1 (0.50) VCAM1MAPTMERTKKAT2BKMT2A
SCHEMBL20575299 0.81 VCAM1 (0.50) VCAM1MAPTMERTKKAT2BKMT2A
SCHEMBL2369197 0.80 TDP1 (0.50) MAPTKMT2AMEN1PKMMAPK1
SCHEMBL31431218 0.80 VCAM1 (0.46) VCAM1MAPTMERTKKAT2BKMT2A
SCHEMBL224136 0.76 VCAM1 (0.54) VCAM1MAPTMERTKKAT2BKMT2A
SCHEMBL31432402 0.75 TRPV4 (0.54) VCAM1MAPTMERTKKAT2BKMT2A
SCHEMBL2369343 0.75 MKNK2 (0.39) MKNK2
SCHEMBL16954755 0.73 VCAM1 (0.48) VCAM1MAPTMERTKKAT2BKMT2A
SCHEMBL31432638 0.73 MAPT (0.53) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL6818591 0.73 MAPT (0.50) VCAM1MAPTMERTKKAT2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
EP-2539343-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104340-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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 (1 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-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 VCAM1 4482/4885MAPT 2652/4885MERTK 360/4885

“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.