SCHEMBL7937161

SCHEMBL7937161

Cc1nc2cc(F)c(F)cc2nc1/C=C/c1nc(Cl)cc(N2CCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.51
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL7936493 0.91 PDE10A (0.49) PDE10ACRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL12574927 0.89 PDE10A (0.64) PDE10ASMN1; SMN2KMT2ACYP1A2MAPT
SCHEMBL7936495 0.89 PDE10A (0.64) PDE10ASMN1; SMN2KMT2ACYP1A2MAPT
SCHEMBL7942725 0.87 PDE10A (0.61) PDE10AKMT2ACYP1A2MAPTKDM4E
SCHEMBL7937698 0.86 PDE10A (0.52) PDE10ASMN1; SMN2KMT2ACYP1A2MAPT
SCHEMBL7937697 0.86 PDE10A (0.52) PDE10ASMN1; SMN2KMT2ACYP1A2MAPT
SCHEMBL7939797 0.85 PDE10A (0.48) PDE10ASMN1; SMN2KMT2AKDM4EGAA
SCHEMBL7934257 0.84 PDE10A (0.50) PDE10AKMT2AKDM4EGAAHRH4
SCHEMBL7934246 0.83 PDE10A (0.50) PDE10ASMN1; SMN2KMT2ACYP1A2MAPT
SCHEMBL7937147 0.83 PDE10A (0.50) PDE10ASMN1; SMN2KMT2ACYP1A2MAPT

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 1/4885CRHBP 4603/4885CRHR2 4050/4885

“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.