SCHEMBL4781235

SCHEMBL4781235

O=C1c2ccccc2C(=O)N1C[C@H](Cc1ccccc1)Nc1nnc(-c2ccc3cnccc3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.45
CDK2 P24941 6/20 0.45
SGK1 O00141 1/20 0.45
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
NOX1 Q9Y5S8 5/20 0.35
IMPDH2 P12268 1/20 0.34
GPR142 Q7Z601 1/20 0.33
PRKACA P17612 1/20 0.33
ROCK1 Q13464 1/20 0.33
PRMT3 O60678 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK13 O15264 1/20 0.32

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
SCHEMBL4781239 1.00 AKT1 (0.45) AKT1CDK2SGK1CDC7CCNE1
SCHEMBL4781775 1.00 AKT1 (0.45) AKT1CDK2SGK1CDC7CCNE1
SCHEMBL4895750 0.93 AKT1 (0.47) AKT1CDK2SGK1CDC7CCNE1
SCHEMBL4840377 0.93 AKT1 (0.47) AKT1CDK2SGK1CDC7CCNE1
SCHEMBL4895972 0.92 AKT1 (0.45) AKT1CDK2SGK1CDC7CCNE1
SCHEMBL4782168 0.92 AKT1 (0.45) AKT1CDK2SGK1CDC7CCNE1
SCHEMBL4895974 0.92 AKT1 (0.45) AKT1CDK2SGK1CDC7CCNE1
SCHEMBL4781794 0.90 ROCK1 (0.45) AKT1CDK2SGK1ALDH1A1TSHR
SCHEMBL4898243 0.90 AKT1 (0.49) AKT1CDK2SGK1ROCK1
SCHEMBL4898239 0.90 AKT1 (0.49) AKT1CDK2SGK1ROCK1

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 2 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
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.