SCHEMBL12485992

SCHEMBL12485992

CCCc1cc(N2CCCC[C@@H]2CCO)nc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.38
CDK2 P24941 6/20 0.38
CDK9 P50750 6/20 0.38
CDK5 Q00535 4/20 0.38
CDK7 P50613 4/20 0.38
CDK1 P06493 4/20 0.38
CDK12 Q9NYV4 4/20 0.38
CCNE1 P24864 3/20 0.38
CCNK O75909 3/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
TAOK1 Q7L7X3 2/20 0.38
CCNT1 O60563 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
CDK13 Q14004 2/20 0.38
CCNT2 O60583 1/20 0.38
BRD4 O60885 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38

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
SCHEMBL12485633 1.00 NPY5R (0.38) NPY5RCDK2CDK9CDK5CDK7
SCHEMBL12486580 1.00 NPY5R (0.38) NPY5RCDK2CDK9CDK5CDK7
SCHEMBL12486555 0.88 MAPT (0.40) NPY5RMAP4K1PKM
SCHEMBL12483434 0.87 ADORA2A (0.43) CDK1ADORA2AADORA1
SCHEMBL12483439 0.87 ADORA2A (0.43) CDK1ADORA2AADORA1
SCHEMBL27092769 0.83 NPY5R (0.40) NPY5RCDK2CDK9CDK5CDK7
SCHEMBL27092774 0.83 NPY5R (0.40) NPY5RCDK2CDK9CDK5CDK7
SCHEMBL29985540 0.83 NPY5R (0.40) NPY5RCDK2CDK9CDK5CDK7
SCHEMBL12484233 0.80 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL12484228 0.80 ADORA2A (0.46) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2020-05-05 US disclosed
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-03-15 US disclosed
US-9850227-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2017-12-26 US disclosed
EP-2678331-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-04-27 EP disclosed
EP-2678331-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 EP disclosed
US-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-12 US disclosed
WO-2012115478-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 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 (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-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 NPY5R 75/4885CDK2 1458/4885CDK9 557/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 NPY5R 75/4885CDK2 1458/4885CDK9 557/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 NPY5R 75/4885CDK2 1458/4885CDK9 557/4885

“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.