SCHEMBL16987135

SCHEMBL16987135

Cc1cc(-c2cn(C(C)C3CNC3)c(C3CCNCC3)n2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.47
RPS6KB1 P23443 17/20 0.47
SOS1 Q07889 1/20 0.39

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
SCHEMBL16987151 0.80 AKT1 (0.62) AKT1RPS6KB1
SCHEMBL4239895 0.79 P2RY14 (0.41) AKT1RPS6KB1SOS1
SCHEMBL16241659 0.79 RPS6KB1 (0.74) AKT1RPS6KB1
Hydrochloric Acid SCHEMBL311632 0.78 P2RY14 (0.41) AKT1RPS6KB1SOS1
SCHEMBL27796918 0.77 SOS1 (0.45) AKT1RPS6KB1SOS1
Hydrochloric Acid SCHEMBL15732670 0.76 SOS1 (0.45) AKT1RPS6KB1SOS1
SCHEMBL2063570 0.76 APP (0.39) AKT1RPS6KB1SOS1
SCHEMBL14782637 0.75 RPS6KB1 (0.59) AKT1RPS6KB1
Hydrochloric Acid SCHEMBL2062816 0.75 APP (0.39) AKT1RPS6KB1SOS1
Hydrochloric Acid SCHEMBL14782585 0.74 RPS6KB1 (0.58) AKT1RPS6KB1

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-9434714-B2 Pyrimidine imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-09-06 US disclosed
US-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2015-08-13 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-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity TK1, CHEK2, DCK AKT1 397/4885RPS6KB1 336/4885SOS1 1996/4885

“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.