SCHEMBL7936573

SCHEMBL7936573

C/C=C/c1nc2cccc(C)c2nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
PDE10A Q9Y233 2/20 0.37
KDM4E B2RXH2 1/20 0.35
NQO2 P16083 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
G6PD P11413 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HCRTR1 O43613 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 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
SCHEMBL7927770 0.83 PDE10A (0.35) MAPTRAB9AMAPK1PDE10AKDM4E
SCHEMBL12574920 0.81 MAPT (0.44) MAPTRAB9AMAPK1KDM4ENQO2
SCHEMBL12708285 0.80 PDE10A (0.48) MAPTRAB9APDE10AKDM4ENQO2
SCHEMBL7927833 0.80 PDE10A (0.48) MAPTRAB9APDE10AKDM4ENQO2
SCHEMBL8604288 0.77 MAPT (0.52) MAPTRAB9AMAPK1KDM4ENQO2
SCHEMBL20475325 0.74 RAB9A (0.53) MAPTRAB9AMAPK1NQO2NPC1
SCHEMBL31643056 0.74 RAB9A (0.53) MAPTRAB9AMAPK1NQO2NPC1
SCHEMBL7938166 0.72 NQO2 (0.40) MAPTRAB9APDE10AKDM4ENQO2
SCHEMBL14764520 0.71 MAPT (0.44) MAPTRAB9AMAPK1KDM4ENQO2
SCHEMBL29084216 0.71 TDP1 (0.46) MAPTRAB9AMAPK1KDM4ENQO2

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 MAPT 3672/4885RAB9A 1058/4885MAPK1 985/4885

“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.