SCHEMBL2020170

SCHEMBL2020170

COc1ccc2nc(C)c(C=O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 7/20 0.54
POLB P06746 6/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
NQO2 P16083 1/20 0.54
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
THRB P10828 2/20 0.44
BLM P54132 2/20 0.44

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
SCHEMBL2024081 1.00 KDM4E (0.54) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL12637539 0.83 TRIM24 (0.54) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL12574810 0.83 KDM4E (0.53) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL12637535 0.83 TRIM24 (0.54) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL12574816 0.83 KDM4E (0.53) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL10435667 0.82 KDM4E (0.70) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL7940431 0.82 PDE10A (0.40) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL7940423 0.80 NQO2 (0.52) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7928982 0.80 NQO2 (0.52) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14074042 0.79 ALDH1A1 (0.54) KDM4EALDH1A1POLBKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 EP disclosed
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 KDM4E 322/4885ALDH1A1 866/4885POLB 551/4885

“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.