SCHEMBL105135

SCHEMBL105135

CC(=O)c1cc(C)nn2cnnc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 5/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 2/20 0.33
SMPD3 Q9NY59 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL104464 0.87 KDM4E (0.59) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1259364 0.74 KDM4E (1.00) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL105123 0.66 BAZ2B (0.41) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL25368059 0.65 KDM4E (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL104398 0.62 SMN1; SMN2 (0.58) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL25153043 0.62 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL25151525 0.61 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13112238 0.61 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL25151509 0.60 LMNA (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31001921 0.60 KDM4E (0.43) KDM4EMAPTALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4685/4885ALDH1A1 3128/4885

“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.