SCHEMBL140145

SCHEMBL140145

O=C(O)Nc1cc(Cl)nn2cnnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
MAPT P10636 3/20 0.39
KDR P35968 3/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TP53 P04637 1/20 0.32
PIK3CA P42336 1/20 0.31
POLB P06746 2/20 0.31
PSMD14 O00487 1/20 0.31
USP2 O75604 1/20 0.31
PRNP P04156 1/20 0.31
MMP2 P08253 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
SCHEMBL105064 0.81 BRD9 (0.45) KDM4EMAPTKDRTNKSTNKS2
SCHEMBL104901 0.76 KDM4E (0.40) KDM4EMAPTKDRHTTALDH1A1
SCHEMBL5057070 0.72 KMT2A (0.41) KDM4EMAPTHTTALDH1A1HPGD
SCHEMBL31201312 0.71 KDM4E (0.45) KDM4EMAPTTNKSTNKS2HTT
SCHEMBL31201339 0.71 KDM4E (0.47) KDM4EMAPTTNKSTNKS2HTT
SCHEMBL105123 0.69 BAZ2B (0.41) KDM4EMAPTHTTALDH1A1HPGD
SCHEMBL20159912 0.68 KDM4E (0.44) KDM4EMAPTHTTALDH1A1HPGD
SCHEMBL21224734 0.67 RXFP1 (0.39) CYP1A2
SCHEMBL31201428 0.65 PI4KB (0.44) KDM4EMAPTTNKSTNKS2HTT
SCHEMBL23993919 0.65 KDM4E (0.43) KDM4EMAPTHTTALDH1A1HPGD

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
EP-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 KDM4E 2800/4885MAPT 4685/4885KDR 411/4885

“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.