SCHEMBL4895923

SCHEMBL4895923

NC[C@H](Cc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.49
CDK2 P24941 7/20 0.49
SGK1 O00141 1/20 0.45
ROCK2 O75116 4/20 0.41
AKT3 Q9Y243 5/20 0.38
MET P08581 2/20 0.38
KIT P10721 1/20 0.38
PRKCA P17252 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
MAPK3 P27361 1/20 0.38
AKT2 P31751 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
INSR P06213 1/20 0.34

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
SCHEMBL4891438 1.00 AKT1 (0.49) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL14260957 0.91 AKT1 (0.44) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4892503 0.90 AKT1 (0.46) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4797102 0.87 AKT1 (0.54) AKT1CDK2SGK1ROCK2
SCHEMBL4902111 0.87 AKT1 (0.43) AKT1CDK2SGK1ROCK2AKT3
SCHEMBL4895598 0.85 AKT1 (0.47) AKT1CDK2SGK1ROCK2PRKACA
SCHEMBL1600572 0.84 AKT1 (0.69) AKT1CDK2SGK1
SCHEMBL1600571 0.84 AKT1 (0.69) AKT1CDK2SGK1
SCHEMBL1600568 0.84 AKT1 (0.69) AKT1CDK2SGK1
SCHEMBL4781683 0.83 AKT1 (0.41) AKT1CDK2SGK1ROCK2AKT3

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.