SCHEMBL7937147

SCHEMBL7937147

COc1ccc2nc(/C=C/c3nc(Cl)cc(N4CCCC4)n3)c(C)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.50
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 4/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RUNX1 Q01196 1/20 0.38

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
SCHEMBL7934246 1.00 PDE10A (0.50) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL7936409 0.88 PDE10A (0.48) PDE10AMAPTTP53LMNA
SCHEMBL7937697 0.87 PDE10A (0.52) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL7937698 0.87 PDE10A (0.52) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL7942725 0.86 PDE10A (0.61) PDE10AKDM4EALDH1A1KMT2AHPGD
SCHEMBL12574927 0.85 PDE10A (0.64) PDE10AKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL7936495 0.85 PDE10A (0.64) PDE10AKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL7936493 0.85 PDE10A (0.49) PDE10AKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL7934257 0.83 PDE10A (0.50) PDE10AKDM4EMEN1KMT2ACASP1
SCHEMBL7937161 0.83 PDE10A (0.51) PDE10AKDM4EALDH1A1KMT2ASMN1; SMN2

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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A PDE10A 1/4885KDM4E 322/4885ALDH1A1 866/4885

“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.