SCHEMBL428426

SCHEMBL428426

Cc1nc2cc(F)ccc2nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP3 P42574 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE2A O00408 5/20 0.40
PDE10A Q9Y233 5/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PDE7A Q13946 1/20 0.37
MPO P05164 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 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
SCHEMBL2178248 1.00 KDM4E (0.48) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL12638658 0.86 KDM4E (0.57) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL31399981 0.86 KDM4E (0.57) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL118875 0.86 KDM4E (0.57) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL14764615 0.80 NQO2 (0.57) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL6311061 0.80 KMT2A (0.62) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL6303670 0.80 KMT2A (0.62) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL14764426 0.80 NQO2 (0.57) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL5023733 0.79 ALDH1A1 (0.35) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL18511352 0.78 KDM4E (0.50) KDM4EKMT2AMAPTMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139983-A1 [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS H. LUNDBECK A/S (DK) 2014-09-18 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 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 (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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 KDM4E 2103/4885KMT2A 4414/4885MAPT 4323/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 KDM4E 2103/4885KMT2A 4414/4885MAPT 4323/4885

“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.