SCHEMBL105146

SCHEMBL105146

Cc1ccc(-c2noc(C(N)=O)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.48
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
RET P07949 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
HTR1D P28221 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
SCHEMBL105955 0.84 RAB9A (0.50) GAAMEN1KMT2AHPGDRAB9A
SCHEMBL1244840 0.82 LRRK2 (0.48) IKBKBGAAMEN1KMT2ALMNA
SCHEMBL104401 0.78 ALDH1A1 (0.43) IKBKBGAAMEN1KMT2ARAB9A
SCHEMBL13316477 0.72 GAA (0.50) IKBKBGAAMEN1KMT2AKDM4E
SCHEMBL3823644 0.72 IKBKB (0.49) IKBKBGAAMEN1KMT2AHPGD
SCHEMBL1753055 0.69 CACNA1F (0.55) GAAMEN1KMT2AHPGDRAB9A
SCHEMBL27971824 0.69 GPBAR1 (0.40) IKBKBGAAMEN1KMT2AHPGD
SCHEMBL3358352 0.68 IKBKB (0.41) IKBKBGAAMEN1KMT2AHPGD
SCHEMBL16485987 0.67 MEN1 (0.55) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL3862966 0.67 KMT2A (0.59) GAAMEN1KMT2AHPGDKDM4E

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 IKBKB 1029/4885GAA 4229/4885MEN1 3210/4885

“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.