SCHEMBL10022441

SCHEMBL10022441

CC(C)c1nc2c(s1)CC(N1CCCCC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ HTR1D P28221 1/20 0.30
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL6032898 0.78 APOBEC3A (0.49) —
Hydrochloric Acid SCHEMBL7325267 0.77 APOBEC3A (0.47) ALDH1A1
Bromide SCHEMBL2710835 0.77 APOBEC3A (0.47) —
Bromide SCHEMBL13387488 0.77 APOBEC3A (0.47) —
Hydrochloric Acid SCHEMBL7315340 0.77 APOBEC3A (0.47) ALDH1A1
SCHEMBL7315449 0.77 LMNA (0.48) —
Hydrochloric Acid SCHEMBL7325859 0.75 ADRA2A (0.47) ALDH1A1
SCHEMBL10022443 0.74 PDK1 (0.58) PDK1ALDH1A1
SCHEMBL798495 0.73 PDK1 (0.38) PDK1DPP4
SCHEMBL10022444 0.73 PDK1 (0.38) PDK1DPP4

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-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA PDK1 459/4885HRH3 1161/4885ALDH1A1 2674/4885

“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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