SCHEMBL138555

SCHEMBL138555

CCOC(=O)c1cnnc(NNCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
SLC2A1 P11166 1/20 0.41
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
RAB9A P51151 3/20 0.38
THRB P10828 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL14315495 0.82 CYP2C9 (0.49) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL5619684 0.79 CYP2C9 (0.54) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL7371624 0.77 CYP2C9 (0.56) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL18323606 0.74 CYP2C9 (0.53) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL12228823 0.74 CYP2C9 (0.53) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL5922488 0.74 CYP2C19 (0.53) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL23608406 0.71 CYP2C9 (0.49) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL29882801 0.71 CYP2C9 (0.49) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL20338272 0.71 CYP2C9 (0.49) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL28214642 0.69 CYP2C9 (0.53) CYP2C9CYP2C19CA12CA1CA2

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 CYP2C9 3302/4885CYP2C19 3701/4885CA12 4580/4885

“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.