SCHEMBL7934247

SCHEMBL7934247

Cc1cc(/C=C/c2nc(Cl)cc(N3CCCC3)n2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
GAA P10253 6/20 0.60
L3MBTL1 Q9Y468 5/20 0.58
ACHE P22303 2/20 0.58
PDE10A Q9Y233 3/20 0.56
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
POLB P06746 2/20 0.53
ALOX12 P18054 1/20 0.53
MAPT P10636 3/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.48
NCF1 P14598 2/20 0.47
ADRB1 P08588 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12494686 0.87 KDM4E (0.60) KDM4EGAAL3MBTL1ACHEPDE10A
SCHEMBL12410060 0.81 ALDH1A1 (0.54) KDM4EGAAL3MBTL1ACHEPDE10A
SCHEMBL7936490 0.81 PDE10A (0.54) KDM4EGAAL3MBTL1ACHEPDE10A
SCHEMBL2176832 0.80 KDM4E (0.47) KDM4EGAAL3MBTL1ACHEPDE10A
SCHEMBL2176837 0.80 KDM4E (0.47) KDM4EGAAL3MBTL1ACHEPDE10A
SCHEMBL7937680 0.79 PDE10A (0.55) KDM4EGAAL3MBTL1ACHEPDE10A
SCHEMBL7942725 0.78 PDE10A (0.61) KDM4EGAAL3MBTL1ACHEPDE10A
SCHEMBL26723750 0.76 KDM4E (1.00) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL14975993 0.75 KDM4E (1.00) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL29351521 0.75 KDM4E (1.00) KDM4EGAAL3MBTL1ACHEALDH1A1

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 KDM4E 322/4885GAA 1065/4885L3MBTL1 4608/4885

“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.