SCHEMBL12485380

SCHEMBL12485380

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ BTK Q06187 7/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD11B1 P28845 3/20 0.39
▸ S100A4 P26447 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HRH3 Q9Y5N1 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
SCHEMBL12485681 0.94 HRH4 (0.49) HRH4BTKJAK3HSD11B1S100A4
SCHEMBL17745731 0.94 HRH4 (0.47) HRH4PKMHRH3
SCHEMBL12486449 0.92 PDCD1LG2 (0.43) HRH4PKMBTKJAK3LMNA
SCHEMBL12486446 0.92 PDCD1LG2 (0.43) HRH4PKMBTKJAK3LMNA
SCHEMBL12485982 0.90 BTK (0.43) HRH4PKMBTKJAK3LMNA
SCHEMBL12485986 0.90 BTK (0.43) HRH4PKMBTKJAK3LMNA
SCHEMBL12486601 0.86 JAK3 (0.58) BTKJAK3
SCHEMBL12486599 0.86 JAK3 (0.58) BTKJAK3
SCHEMBL12484536 0.85 HRH4 (0.49) HRH4BTKJAK3HSD11B1S100A4
SCHEMBL12484534 0.85 HRH4 (0.49) HRH4BTKJAK3HSD11B1S100A4

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 4/4885PKM 2163/4885BTK 4572/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 HRH4 4/4885PKM 2163/4885BTK 4572/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 HRH4 4/4885PKM 2163/4885BTK 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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