SCHEMBL12485681

SCHEMBL12485681

CCCCc1cc(N2CCCC(NC(=O)O)C2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.49
▸ HSD11B1 P28845 6/20 0.44
▸ BTK Q06187 7/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ IDH1 O75874 1/20 0.39
▸ S100A4 P26447 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ HRH3 Q9Y5N1 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
SCHEMBL12485380 0.94 HRH4 (0.41) HRH4HSD11B1BTKJAK3S100A4
SCHEMBL12484536 0.92 HRH4 (0.49) HRH4HSD11B1BTKJAK3IDH1
SCHEMBL12484534 0.92 HRH4 (0.49) HRH4HSD11B1BTKJAK3IDH1
SCHEMBL17745731 0.87 HRH4 (0.47) HRH4HRH3
SCHEMBL28806059 0.87 JAK3 (0.56) HRH4BTKJAK3
SCHEMBL12485004 0.85 HRH4 (0.56) HRH4HRH3
SCHEMBL12485008 0.85 HRH4 (0.56) HRH4HRH3
SCHEMBL12486446 0.85 PDCD1LG2 (0.43) HRH4BTKJAK3S100A4GAA
SCHEMBL12486449 0.85 PDCD1LG2 (0.43) HRH4BTKJAK3S100A4GAA
SCHEMBL12485986 0.84 BTK (0.43) HRH4BTKJAK3S100A4

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 HRH4 4/4885HSD11B1 4241/4885BTK 4572/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HRH4 4/4885HSD11B1 4241/4885BTK 4572/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885HSD11B1 4241/4885BTK 4572/4885

“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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