SCHEMBL7937149

SCHEMBL7937149

CCc1nc2ccc(F)cc2nc1/C=C/c1nc(Cl)cc(N2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.50
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL7940301 0.89 PDE10A (0.46) PDE10ACYP1A2KDM4ETP53ALDH1A1
SCHEMBL7936495 0.87 PDE10A (0.64) PDE10ACYP1A2KDM4ENPC1RAB9A
SCHEMBL12574927 0.87 PDE10A (0.64) PDE10ACYP1A2KDM4ENPC1RAB9A
SCHEMBL12574418 0.84 PDE10A (0.51) PDE10ACYP1A2CYP3A4NPC1RAB9A
SCHEMBL7937697 0.76 PDE10A (0.52) PDE10ACYP1A2KDM4ENPC1RAB9A
SCHEMBL7937698 0.76 PDE10A (0.52) PDE10ACYP1A2KDM4ENPC1RAB9A
SCHEMBL7937161 0.76 PDE10A (0.51) PDE10ACYP1A2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7942725 0.74 PDE10A (0.61) PDE10ACYP1A2KDM4ETP53ALDH1A1
SCHEMBL7934257 0.74 PDE10A (0.50) PDE10AKDM4EKMT2AMEN1
SCHEMBL7931205 0.73 PDE10A (0.46) PDE10AKDM4EALDH1A1L3MBTL1

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 3 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
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 1/4885CYP1A2 885/4885CYP3A4 1089/4885

“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.