SCHEMBL4891531

SCHEMBL4891531

NC[C@@H](Cc1cccc(C(F)(F)F)c1)Nc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.58
CDK2 P24941 11/20 0.58
SGK1 O00141 1/20 0.58
ROCK2 O75116 2/20 0.43
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIN1 Q13526 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL4895901 1.00 AKT1 (0.58) AKT1CDK2SGK1ROCK2AKT2
SCHEMBL4780577 0.87 AKT1 (0.53) AKT1CDK2SGK1ROCK2
SCHEMBL4899252 0.87 AKT1 (0.53) AKT1CDK2SGK1ROCK2
SCHEMBL4898277 0.87 AKT1 (0.53) AKT1CDK2SGK1ROCK2
SCHEMBL4895598 0.86 AKT1 (0.47) AKT1CDK2SGK1ROCK2
SCHEMBL4898308 0.86 AKT1 (0.50) AKT1CDK2SGK1ROCK2
SCHEMBL4902382 0.86 AKT1 (0.50) AKT1CDK2SGK1ROCK2
SCHEMBL4894737 0.85 AKT1 (0.57) AKT1CDK2SGK1
SCHEMBL4893264 0.85 AKT1 (0.57) AKT1CDK2SGK1
SCHEMBL4850255 0.85 ROCK1 (0.49) AKT1CDK2SGK1ROCK2DYRK1A

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
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR AKT1 26/4885CDK2 64/4885SGK1 467/4885

“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.