SCHEMBL16057123

SCHEMBL16057123

Cc1cc(-c2cn(CCN3CCC3)c([C@H]3CCN(c4ncnc(N)c4C(C)C)C[C@H]3F)n2)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00
RPS6KB1 P23443 3/20 0.66
AKT2 P31751 1/20 0.66
KCNH2 Q12809 1/20 0.66
AKT3 Q9Y243 1/20 0.66

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
SCHEMBL16057491 1.00 AKT1 (1.00) AKT1RPS6KB1AKT2KCNH2AKT3
SCHEMBL16057490 1.00 AKT1 (1.00) AKT1RPS6KB1AKT2KCNH2AKT3
SCHEMBL18309414 1.00 AKT1 (1.00) AKT1RPS6KB1AKT2KCNH2AKT3
SCHEMBL16057448 0.91 AKT1 (0.84) AKT1RPS6KB1
SCHEMBL16057450 0.91 AKT1 (0.84) AKT1RPS6KB1
SCHEMBL16057449 0.91 AKT1 (0.84) AKT1RPS6KB1
SCHEMBL17439122 0.91 AKT1 (1.00) AKT1RPS6KB1AKT2KCNH2AKT3
SCHEMBL17439121 0.91 AKT1 (1.00) AKT1RPS6KB1AKT2KCNH2AKT3
SCHEMBL16091716 0.91 AKT1 (1.00) AKT1RPS6KB1AKT2KCNH2AKT3
SCHEMBL16057339 0.90 AKT1 (1.00) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458134-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-10-04 US claimed
US-20160016936-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-01-21 US claimed
EP-2970201-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2016-01-20 EP claimed
WO-2014143612-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2014-09-18 WO claimed
US-9867826-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9867826-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9867826-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-20160361316-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20160361316-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20160361316-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-9458134-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-9458134-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-9458134-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-20160016936-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016936-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016936-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
EP-2970201-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2016-01-20 EP disclosed
WO-2014143612-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2014-09-18 WO disclosed
WO-2014143612-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2014-09-18 WO disclosed
US-8765723-B2 Analogues of cilostazol CONCERT PHARMACEUTICALS, INC. (US) 2014-07-01 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 (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-20160361316-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MAP3K20, MAP3K19, MAP3K15 AKT1 112/4885RPS6KB1 248/4885AKT2 214/4885
US-20160016936-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MAP3K20, MAP3K19, MAP3K15 AKT1 112/4885RPS6KB1 248/4885AKT2 214/4885

“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.