SCHEMBL10140756

SCHEMBL10140756

CC(=O)c1nn(C)c(-c2ccc(Cl)nc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRM5 P41594 7/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PIK3CD O00329 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
PTGS2 P35354 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
SCHEMBL1483029 0.82 CNR1 (0.48) KMT2AGRM5CNR1PTGS2
SCHEMBL16299018 0.82 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL277404 0.79 GRM5 (0.49) GRM5
SCHEMBL1483015 0.77 TP53 (0.40) MEN1KMT2AGRM5ALDH1A1PDE10A
SCHEMBL280162 0.76 CSF1R (0.46) MEN1KMT2AGRM5ALDH1A1KDM4E
SCHEMBL1482964 0.74 IKBKB (0.47) MEN1KMT2AGRM5ALDH1A1KDM4E
SCHEMBL1483023 0.74 KDM2B (0.40) GRM5ALDH1A1HPGD
SCHEMBL277330 0.73 GRM5 (0.49) GRM5ALDH1A1KDM4EATM
SCHEMBL1483434 0.72 MCL1 (0.40) MEN1KMT2AALDH1A1PDE10AKDM4E
SCHEMBL1483362 0.72 ADORA2A (0.34) GRM5CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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 (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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 MEN1 994/4885KMT2A 2422/4885GRM5 4514/4885

“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.