SCHEMBL4367350

SCHEMBL4367350

Nc1ccnc(N)c1C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ BTK Q06187 1/20 0.35
▸ MPO P05164 1/20 0.35

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
SCHEMBL4367345 1.00 ROCK1 (0.39) ROCK1ROCK2KCNH2HRH3HTR3A
SCHEMBL17967836 0.90 ROCK1 (0.41) ROCK1ROCK2KCNH2HRH3MKNK1
SCHEMBL3388421 0.77 NOS3 (0.37) ROCK1ROCK2KCNH2
SCHEMBL673109 0.76 ROCK1 (0.40) ROCK1KCNH2MKNK1MKNK2
SCHEMBL30673624 0.74 HTR3A (0.38) ROCK1ROCK2KCNH2HRH3HTR3A
SCHEMBL9901829 0.74 HTR3A (0.38) ROCK1ROCK2KCNH2HRH3HTR3A
SCHEMBL9900635 0.74 HTR3A (0.38) ROCK1ROCK2KCNH2HRH3HTR3A
SCHEMBL9842899 0.73 HTR1A (0.46) —
SCHEMBL12540028 0.72 ESR2 (0.35) —
SCHEMBL12540026 0.72 ESR2 (0.35) —

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
CN-108864151-A heterocyclic amine and application thereof 利亘制药公司 2018-11-23 — — CN claimed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R ROCK1 4250/4885ROCK2 4214/4885KCNH2 926/4885

“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.

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