SCHEMBL16689800

SCHEMBL16689800

COC[C@H](NC(=O)C1(N)CCN(c2ncnc(N)c2Cl)CC1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 19/20 1.00
▸ ROCK2 O75116 1/20 0.65
▸ AKT1 P31749 1/20 0.65
▸ AKT2 P31751 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ AKT3 Q9Y243 1/20 0.65

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
SCHEMBL16689794 0.91 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1AKT2KCNH2
SCHEMBL14787775 0.91 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1AKT2KCNH2
SCHEMBL28392827 0.91 RPS6KB1 (0.87) RPS6KB1ROCK2AKT1AKT2KCNH2
SCHEMBL14787862 0.89 RPS6KB1 (1.00) RPS6KB1
SCHEMBL14787744 0.88 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL14787917 0.87 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1AKT2AKT3
SCHEMBL19200856 0.86 RPS6KB1 (0.81) RPS6KB1
SCHEMBL14787774 0.85 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1AKT2KCNH2
SCHEMBL14787678 0.85 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1AKT2KCNH2
SCHEMBL14787903 0.83 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-03 — — US disclosed
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-03 — — US disclosed
US-9662330-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2017-05-30 — — US disclosed
US-9662330-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2017-05-30 — — US disclosed
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-06-30 — — US disclosed
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-06-30 — — US disclosed
US-9321760-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-04-26 — — US disclosed
US-9321760-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-04-26 — — US disclosed
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-05-07 — — US disclosed
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-05-07 — — 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 (3 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-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 RPS6KB1 165/4885ROCK2 896/4885AKT1 173/4885
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 RPS6KB1 165/4885ROCK2 896/4885AKT1 173/4885
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 RPS6KB1 165/4885ROCK2 896/4885AKT1 173/4885

“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.

Send feedback