SCHEMBL12484233

SCHEMBL12484233

CCCc1cc(N2CCCC2COC)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.46
ADORA1 P30542 15/20 0.46
CYP1A2 P05177 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 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
SCHEMBL12484228 1.00 ADORA2A (0.46) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL12483434 0.85 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL12483439 0.85 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL12486555 0.84 MAPT (0.40)
SCHEMBL12485226 0.81 PDE10A (0.39) ADORA2AADORA1
SCHEMBL12485230 0.81 PDE10A (0.39) ADORA2AADORA1
SCHEMBL12485633 0.80 NPY5R (0.38) ADORA2AADORA1
SCHEMBL12485992 0.80 NPY5R (0.38) ADORA2AADORA1
SCHEMBL12486580 0.80 NPY5R (0.38) ADORA2AADORA1
SCHEMBL12486460 0.79 GRM2 (0.36)

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-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2019-03-12 US disclosed
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2018-04-26 US disclosed
US-9890138-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2018-02-13 US disclosed
EP-2678332-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-05-18 EP disclosed
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 US disclosed
EP-2678332-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 EP disclosed
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-19 US disclosed
WO-2012115480-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 (4 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-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 ADORA2A 262/4885ADORA1 138/4885CYP1A2 1499/4885
US-20130338179-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 ADORA2A 262/4885ADORA1 138/4885CYP1A2 1499/4885
US-20180111918-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 ADORA2A 262/4885ADORA1 138/4885CYP1A2 1499/4885
US-10227330-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 ADORA2A 262/4885ADORA1 138/4885CYP1A2 1499/4885

“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.