SCHEMBL20135462

SCHEMBL20135462

CCC1CN(c2ncc(C)cc2C)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.43
PRKCD Q05655 4/20 0.43
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CXCR4 P61073 1/20 0.37
HTT P42858 2/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
LCK P06239 1/20 0.36
PRKCA P17252 1/20 0.36

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
SCHEMBL20135461 1.00 PRKCQ (0.43) PRKCQPRKCDROCK2ROCK1PIM1
SCHEMBL20135325 0.83 KIT (0.43) PRKCQPRKCDROCK2ROCK1PIM1
SCHEMBL20135002 0.83 KIT (0.43) PRKCQPRKCDROCK2ROCK1PIM1
SCHEMBL20134990 0.83 KIT (0.43) PRKCQPRKCDROCK2ROCK1PIM1
SCHEMBL29688471 0.83 KIT (0.43) PRKCQPRKCDROCK2ROCK1PIM1
Hydrochloric Acid SCHEMBL29688550 0.82 KIT (0.42) PRKCQPRKCDROCK2ROCK1PIM1
SCHEMBL14186229 0.77 PRKCQ (0.47) PRKCQPRKCDROCK2ROCK1PIM1
SCHEMBL21170875 0.76 PRKCQ (0.38) PRKCQPRKCDROCK2ROCK1PIM1
SCHEMBL2366129 0.76 TAAR1 (0.47) CYP2D6
Hydrochloric Acid SCHEMBL2366927 0.75 TAAR1 (0.46) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 PRKCQ 3797/4885PRKCD 4078/4885ROCK2 381/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 PRKCQ 3818/4885PRKCD 3943/4885ROCK2 437/4885

“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.