SCHEMBL370716

SCHEMBL370716

Cc1nc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.51
AKT2 P31751 3/20 0.51
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 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
SCHEMBL360773 0.98 AKT1 (0.49) AKT1AKT2CNR1CNR2CKS1B
SCHEMBL361275 0.96 AKT1 (0.46) AKT1AKT2CNR1CNR2CKS1B
SCHEMBL867621 0.92 AKT1 (0.50) AKT1AKT2CNR1CNR2
SCHEMBL868443 0.91 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL362980 0.91 AKT1 (0.53) AKT1AKT2CNR1CNR2
SCHEMBL867705 0.91 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL539000 0.91 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL361408 0.91 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL16481138 0.90 AKT1 (0.50) AKT1AKT2CNR1CNR2
SCHEMBL867633 0.89 AKT1 (0.48) AKT1AKT2CNR1CNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 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 (2 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD AKT1 42/4885AKT2 24/4885CNR1 2335/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885CNR1 4441/4885

“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.