SCHEMBL12143222

SCHEMBL12143222

Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1I

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.84
AKT2 P31751 6/20 0.84
AKT3 Q9Y243 6/20 0.84
PRKCA P17252 3/20 0.84
ROCK1 Q13464 3/20 0.84
ROCK2 O75116 2/20 0.84
PRKCB P05771 2/20 0.84
PRKACA P17612 2/20 0.84
PRKACB P22694 2/20 0.84
PKN1 Q16512 2/20 0.84
PRKD2 Q9BZL6 2/20 0.84
CIT O14578 1/20 0.84
SGK1 O00141 1/20 0.56
PRKD3 O94806 1/20 0.56
LATS1 O95835 1/20 0.56
PRKCG P05129 1/20 0.56
RPS6KB1 P23443 1/20 0.56
PRKCH P24723 1/20 0.56
MARK3 P27448 1/20 0.56
PRKCI P41743 1/20 0.56

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
Afuresertib SCHEMBL187686 0.92 AKT1 (1.00) AKT1AKT2AKT3PRKCAROCK1
Afuresertib SCHEMBL29360487 0.92 AKT1 (1.00) AKT1AKT2AKT3PRKCAROCK1
Afuresertib SCHEMBL15020961 0.92 AKT1 (1.00) AKT1AKT2AKT3PRKCAROCK1
Afuresertib SCHEMBL23858298 0.91 AKT1 (0.98) AKT1AKT2AKT3PRKCAROCK1
SCHEMBL1529379 0.91 AKT1 (0.86) AKT1AKT2AKT3PRKCAROCK1
Afuresertib SCHEMBL29432553 0.91 AKT1 (0.98) AKT1AKT2AKT3PRKCAROCK1
Afuresertib SCHEMBL1364223 0.91 AKT1 (0.98) AKT1AKT2AKT3PRKCAROCK1
SCHEMBL1529401 0.89 AKT1 (0.83) AKT1AKT2AKT3PRKCAROCK1
SCHEMBL1529539 0.89 AKT1 (0.82) AKT1AKT2AKT3PRKCAROCK1
SCHEMBL25062435 0.85 AKT1 (0.87) AKT1AKT2AKT3PRKCAROCK1

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-20110288142-A1 CRYSTALLINE N--5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide hydrochloride NOVARTIS AG (CH) 2011-11-24 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-20110288142-A1 CRYSTALLINE N--5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide hydrochloride PIK3CD, PIK3CA, PIK3CB AKT1 16/4885AKT2 8/4885AKT3 14/4885

“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.