SCHEMBL12484534

SCHEMBL12484534

CCCCc1cc(N2CCC[C@@H](NC(C)=O)C2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.49
▸ HSD11B1 P28845 2/20 0.42
▸ PDCD1LG2 Q9BQ51 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ BTK Q06187 6/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ SMPD3 Q9NY59 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL12484536 1.00 HRH4 (0.49) HRH4HSD11B1PDCD1LG2CD274BTK
SCHEMBL12486446 0.94 PDCD1LG2 (0.43) HRH4PDCD1LG2CD274BTKJAK3
SCHEMBL12486449 0.94 PDCD1LG2 (0.43) HRH4PDCD1LG2CD274BTKJAK3
SCHEMBL12485008 0.94 HRH4 (0.56) HRH4PDCD1LG2CD274SMPD3
SCHEMBL12485004 0.94 HRH4 (0.56) HRH4PDCD1LG2CD274SMPD3
SCHEMBL12485681 0.92 HRH4 (0.49) HRH4HSD11B1BTKJAK3S100A4
SCHEMBL12485863 0.87 HRH4 (0.47) HRH4SMPD3
SCHEMBL12483304 0.87 HRH4 (0.47) HRH4SMPD3
SCHEMBL28806059 0.87 JAK3 (0.56) HRH4BTKJAK3SYK
SCHEMBL12485380 0.85 HRH4 (0.41) HRH4HSD11B1BTKJAK3S100A4

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-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
CN-103391935-A Diaminopyrimidine derivatives and process for preparing same YUHAN CORP 2013-11-13 — — CN 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 HRH4 4/4885HSD11B1 4241/4885PDCD1LG2 1645/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HRH4 4/4885HSD11B1 4241/4885PDCD1LG2 1645/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885HSD11B1 4241/4885PDCD1LG2 1645/4885

“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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