SCHEMBL11909549

SCHEMBL11909549

CNC(=O)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
PLK1 P53350 2/20 0.45
MGLL Q99685 1/20 0.42
RIPK1 Q13546 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TGFBR1 P36897 1/20 0.37
GLA P06280 1/20 0.37
XPO1 O14980 1/20 0.37
KDM4E B2RXH2 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL13312285 0.85 MGLL (0.44) LMNAPOLBMGLLALDH1A1MEN1
SCHEMBL3433408 0.84 MGLL (0.43) LMNAMGLLHDAC6ALDH1A1MEN1
SCHEMBL973413 0.84 ALOX15 (0.45) MGLLALDH1A1KMT2AKDM4ETDP1
SCHEMBL6361138 0.84 ALDH1A1 (0.47) POLBMGLLRIPK1HDAC6ALDH1A1
SCHEMBL125418 0.83 KDM4E (0.47) LMNAMGLLHDAC6ALDH1A1MEN1
SCHEMBL249051 0.82 CNR2 (0.54) POLBHDAC6GLAEGLN1CYP1A2
SCHEMBL249434 0.82 SORT1 (0.59) LMNAALDH1A1KMT2AGLAKDM4E
SCHEMBL123859 0.82 MGLL (0.42) LMNAMGLLHDAC6ALDH1A1MEN1
SCHEMBL5717652 0.82 PARP1 (0.46) LMNAMGLLMEN1KMT2AKDM4E
SCHEMBL619508 0.81 GLA (0.60) LMNAHDAC6KMT2AGLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 US disclosed
US-20160068556-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-10 US disclosed
US-9217000-B2 Targeted nitroxide agents Univerisyt of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-22 US disclosed
US-20140018317-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-01-16 US disclosed
US-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-08-16 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 (3 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-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS NOX1, OGG1, NOX5 LMNA 2306/4885POLB 592/4885PLK1 1420/4885
US-20140018317-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 LMNA 2142/4885POLB 1683/4885PLK1 464/4885
US-20160068556-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 LMNA 2142/4885POLB 1683/4885PLK1 464/4885

“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.