SCHEMBL3259094

SCHEMBL3259094

C=C(C)c1cc2ncc3nc(-c4cccs4)c(-c4ccc([C@]5(N)C[C@H](O)C5)cc4)nc3n2n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.34
AKT2 P31751 18/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RPS6KB2 Q9UBS0 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
SCHEMBL10287290 0.89 AKT1 (0.42) AKT1AKT2
SCHEMBL239678 0.89 AKT1 (0.36) AKT1AKT2RPS6KB2
SCHEMBL239679 0.89 AKT1 (0.36) AKT1AKT2RPS6KB2
SCHEMBL2755160 0.89 AKT1 (0.36) AKT1AKT2RPS6KB2
SCHEMBL239623 0.78 CYP1A2 (0.32) MEN1USP2ALDH1A1CYP1A2GLA
SCHEMBL2755378 0.78 CYP1A2 (0.32) MEN1USP2ALDH1A1CYP1A2GLA
SCHEMBL239624 0.78 CYP1A2 (0.32) MEN1USP2ALDH1A1CYP1A2GLA
SCHEMBL238544 0.78 AKT1 (0.44) AKT1AKT2
SCHEMBL238545 0.78 AKT1 (0.44) AKT1AKT2
SCHEMBL2755372 0.78 AKT1 (0.44) AKT1AKT2

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-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 AKT1 13/4885AKT2 4/4885MEN1 1044/4885

“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.