SCHEMBL14734878

SCHEMBL14734878

COc1ccc2[nH]nc(CO)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.50
CYP2D6 P10635 1/20 0.48
HTR2B P41595 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
DYRK1A Q13627 2/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
FADS1 O60427 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
TTK P33981 2/20 0.45
ITK Q08881 1/20 0.45

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
SCHEMBL5952442 0.87 DYRK1A (0.54) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17232485 0.87 KDM4E (0.50) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17221269 0.85 HTR2B (0.53) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17253668 0.84 MAPT (0.47) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL6221858 0.83 PRKAG1 (0.45) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL6221861 0.83 PRKAG1 (0.45) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL30965201 0.83 KDM4E (0.57) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17253616 0.83 KDM4E (0.46) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL9122600 0.83 HTR2A (0.55) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14735441 0.81 TRPA1 (0.43) KDM4EKMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 KDM4E 540/4885MEN1 2639/4885MAPT 4754/4885

“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.