SCHEMBL178449

SCHEMBL178449

CC(C)c1cccc(NCC2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
AXL P30530 1/20 0.42
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
ROCK2 O75116 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
VNN1 O95497 1/20 0.39
CCNK O75909 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
USP30 Q70CQ3 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BTK Q06187 1/20 0.38
PIM1 P11309 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL104979 0.82 CARM1 (0.47) CARM1PRMT6AXLUSP1WDR48
SCHEMBL18977175 0.81 CARM1 (0.49) CARM1PRMT6AXLKDM1AMAOB
SCHEMBL18626549 0.78 CXCR4 (0.48) ROCK2BACE1
SCHEMBL25583705 0.78 POLB (0.50) CARM1PRMT6AXLCCNKCCND3
SCHEMBL18466042 0.77 HRH4 (0.48) AXLUSP1WDR48ROCK2CDK9
SCHEMBL13607115 0.76 HTR7 (0.47) ACHECCNKCCND3CDK9CDK6
SCHEMBL20045047 0.76 POLB (0.41) CARM1PRMT6BTK
SCHEMBL19547078 0.75 NR1D2 (0.46) CARM1PRMT6ACHEHRH3
SCHEMBL12015750 0.74 HTR7 (0.49) ACHE
SCHEMBL21349098 0.73 LMNA (0.61) CDK9

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 CARM1 1278/4885PRMT6 784/4885AXL 3101/4885

“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.