SCHEMBL7927770

SCHEMBL7927770

C/C=C/c1nc2cccc(F)c2nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL7936573 0.83 MAPT (0.40) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL2018164 0.82 PARP1 (0.37) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL14734397 0.79 MAPT (0.44) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL7927833 0.77 PDE10A (0.48) PDE10ANPC1RAB9AKDM4EMAPT
SCHEMBL12708285 0.77 PDE10A (0.48) PDE10ANPC1RAB9AKDM4EMAPT
SCHEMBL7934977 0.74 NOS2 (0.32) PDE10A
SCHEMBL14764585 0.73 TDP1 (0.40) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL21857858 0.73 PARP1 (0.40) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL30118358 0.72 PIM1 (0.42) PDE10ANPC1RAB9AKDM4ELMNA
SCHEMBL2131272 0.69 ACHE (0.41) PDE10ANPC1RAB9AKDM4ELMNA

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 1/4885NPC1 4338/4885RAB9A 1058/4885

“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.