SCHEMBL2367375

SCHEMBL2367375

CC1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
KIT P10721 3/20 0.40
PDGFRB P09619 2/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
AKT1 P31749 9/20 0.39
AKT2 P31751 9/20 0.39
AKT3 Q9Y243 9/20 0.39
PIK3CA P42336 1/20 0.39
PRKG1 Q13976 1/20 0.39
POLB P06746 1/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL191209 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKITPDGFRB
SCHEMBL14312259 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKITPDGFRB
SCHEMBL192756 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKITPDGFRB
SCHEMBL3941559 0.89 PDGFRB (0.42) ALDH1A1MAPTKITPDGFRBPDGFRA
SCHEMBL925711 0.88 KIT (0.42) KITAKT1AKT2AKT3PIK3CA
SCHEMBL925709 0.88 KIT (0.42) KITAKT1AKT2AKT3PIK3CA
SCHEMBL3401556 0.88 POLB (0.41) ALDH1A1MAPTKITPDGFRBPDGFRA
SCHEMBL925683 0.88 KIT (0.42) KITAKT1AKT2AKT3PIK3CA
SCHEMBL3117718 0.88 POLB (0.41) ALDH1A1MAPTKITPDGFRBPDGFRA
SCHEMBL925708 0.88 KIT (0.42) KITAKT1AKT2AKT3PIK3CA

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-9150549-B2 Combinations of AKT inhibitor compounds and erlotinib, and methods of use GENENTECH, INC. (US) 2015-10-06 US disclosed
US-20140221386-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE GENENTECH, INC. (US) 2014-08-07 US disclosed
EP-2240455-B1 HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2049501-B1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-14 EP 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-20140221386-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE AKT1, AKT2, MTOR ALDH1A1 2984/4885MAPT 3076/4885LMNA 4011/4885

“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.