SCHEMBL4898243

SCHEMBL4898243

O=C1c2ccccc2C(=O)N1C[C@H](Cc1cccc(C(F)(F)F)c1)Nc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.49
CDK2 P24941 10/20 0.49
SGK1 O00141 1/20 0.49
ROCK2 O75116 2/20 0.35
PIN1 Q13526 1/20 0.35
ROCK1 Q13464 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
KCNN4 O15554 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL4898239 1.00 AKT1 (0.49) AKT1CDK2SGK1ROCK2PIN1
SCHEMBL4781239 0.90 AKT1 (0.45) AKT1CDK2SGK1ROCK1
SCHEMBL4781775 0.90 AKT1 (0.45) AKT1CDK2SGK1ROCK1
SCHEMBL4781235 0.90 AKT1 (0.45) AKT1CDK2SGK1ROCK1
SCHEMBL4781794 0.87 ROCK1 (0.45) AKT1CDK2SGK1ROCK2ROCK1
SCHEMBL4840377 0.86 AKT1 (0.47) AKT1CDK2SGK1
SCHEMBL4895750 0.86 AKT1 (0.47) AKT1CDK2SGK1
SCHEMBL4891531 0.84 AKT1 (0.58) AKT1CDK2SGK1ROCK2PIN1
SCHEMBL4895901 0.84 AKT1 (0.58) AKT1CDK2SGK1ROCK2PIN1
SCHEMBL4895974 0.82 AKT1 (0.45) AKT1CDK2SGK1

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-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.