SCHEMBL12486599

SCHEMBL12486599

CCCc1cc(N2CCCC(NC(=O)OC(C)(C)C)C2)nc(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.58
▸ BTK Q06187 2/20 0.58
▸ MAP4K4 O95819 2/20 0.51
▸ AURKA O14965 3/20 0.51
▸ PDPK1 O15530 3/20 0.51
▸ AURKB Q96GD4 3/20 0.51
▸ SYK P43405 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ SUV39H2 Q9H5I1 7/20 0.45
▸ RET P07949 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ KIF18A Q8NI77 1/20 0.42

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
SCHEMBL12486601 1.00 JAK3 (0.58) JAK3BTKMAP4K4AURKAPDPK1
SCHEMBL28806059 0.94 JAK3 (0.56) JAK3BTKMAP4K4AURKAPDPK1
SCHEMBL12484351 0.94 BTK (0.51) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12484356 0.94 BTK (0.51) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12486446 0.86 PDCD1LG2 (0.43) JAK3BTKSYK
SCHEMBL12485380 0.86 HRH4 (0.41) JAK3BTK
SCHEMBL12486449 0.86 PDCD1LG2 (0.43) JAK3BTKSYK
SCHEMBL12485982 0.84 BTK (0.43) JAK3BTKMAP4K4
SCHEMBL12485986 0.84 BTK (0.43) JAK3BTKMAP4K4
SCHEMBL24851725 0.83 BTK (0.57) JAK3BTKMAP4K4AURKAPDPK1

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 JAK3 1012/4885BTK 4572/4885MAP4K4 223/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 JAK3 1012/4885BTK 4572/4885MAP4K4 223/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 JAK3 1012/4885BTK 4572/4885MAP4K4 223/4885

“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.

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