SCHEMBL12486457

SCHEMBL12486457

CCCc1cc(N2CCCC(N)C2)nc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.45
IDH2 P48735 1/20 0.40
PBK Q96KB5 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
SYK P43405 2/20 0.38
DOT1L Q8TEK3 1/20 0.37
DPP4 P27487 4/20 0.37
AIMP2 Q13155 1/20 0.37
IKBKB O14920 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL12486452 1.00 PAK4 (0.45) PAK4IDH2PBKHRH4CLK2
Hydrochloric Acid SCHEMBL17698181 0.99 PAK4 (0.44) PAK4IDH2PBKHRH4CLK2
Hydrochloric Acid SCHEMBL17698183 0.99 PAK4 (0.44) PAK4IDH2PBKHRH4CLK2
SCHEMBL12485192 0.94 HRH4 (0.44) PAK4HRH4SYKIKBKBEGFR
SCHEMBL12485198 0.94 HRH4 (0.44) PAK4HRH4SYKIKBKBEGFR
Hydrochloric Acid SCHEMBL17745900 0.94 HRH4 (0.43) PAK4HRH4SYKIKBKBEGFR
Hydrochloric Acid SCHEMBL17745902 0.94 HRH4 (0.43) PAK4HRH4SYKIKBKBEGFR
SCHEMBL12486528 0.86 GAA (0.45) SYKGAAMAPTXBP1MAPK1
Hydrochloric Acid SCHEMBL17698311 0.86 GAA (0.44) SYKGAAMAPTXBP1MAPK1
SCHEMBL12484968 0.84 HRH4 (0.50) HRH4

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 11 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 claimed
US-9850227-B2 Diaminopyrimidine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2017-12-26 US claimed
EP-2678331-B1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2016-04-27 EP claimed
EP-2678331-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2014-01-01 EP claimed
US-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2013-12-12 US claimed
WO-2012115478-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-08-30 WO claimed
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 (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-20130331377-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 PAK4 284/4885IDH2 3422/4885PBK 4029/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 PAK4 284/4885IDH2 3422/4885PBK 4029/4885

“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.