SCHEMBL7937741

SCHEMBL7937741

C/C=C/c1nc2cc(C)ccc2nc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
NQO2 P16083 1/20 0.50
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PSMB5 P28074 1/20 0.37
PDE10A Q9Y233 1/20 0.35
NCK1 P16333 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL12574724 1.00 KDM4E (0.50) KDM4EMAPTNQO2ALDH1A1L3MBTL1
SCHEMBL12574606 0.83 KDM4E (0.43) KDM4EMAPTALDH1A1TDP1RAB9A
SCHEMBL7935792 0.83 KDM4E (0.43) KDM4EMAPTALDH1A1TDP1RAB9A
SCHEMBL7938166 0.81 NQO2 (0.40) KDM4EMAPTNQO2ALDH1A1RAB9A
SCHEMBL12708285 0.81 PDE10A (0.48) KDM4EMAPTNQO2ALDH1A1L3MBTL1
SCHEMBL7927833 0.81 PDE10A (0.48) KDM4EMAPTNQO2ALDH1A1L3MBTL1
SCHEMBL12574810 0.80 KDM4E (0.53) KDM4EMAPTNQO2ALDH1A1TDP1
SCHEMBL12574816 0.80 KDM4E (0.53) KDM4EMAPTNQO2ALDH1A1TDP1
SCHEMBL7928982 0.80 NQO2 (0.52) KDM4EMAPTNQO2ALDH1A1L3MBTL1
SCHEMBL7940423 0.80 NQO2 (0.52) KDM4EMAPTNQO2ALDH1A1L3MBTL1

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 KDM4E 322/4885MAPT 3672/4885NQO2 146/4885

“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.