SCHEMBL12485982

SCHEMBL12485982

CCCc1cc(N2CCC[C@@H](NC(=O)CO)C2)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.43
▸ S100A4 P26447 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MAP4K4 O95819 6/20 0.39
▸ SMO Q99835 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL12485986 1.00 BTK (0.43) BTKS100A4HRH4JAK3MAP4K4
SCHEMBL12484425 0.94 HRH4 (0.46) BTKHRH4SMOPKM
SCHEMBL12484429 0.94 HRH4 (0.46) BTKHRH4SMOPKM
SCHEMBL12485380 0.90 HRH4 (0.41) BTKS100A4HRH4JAK3LMNA
SCHEMBL12486449 0.90 PDCD1LG2 (0.43) BTKS100A4HRH4JAK3LMNA
SCHEMBL12486446 0.90 PDCD1LG2 (0.43) BTKS100A4HRH4JAK3LMNA
SCHEMBL12486601 0.84 JAK3 (0.58) BTKJAK3MAP4K4
SCHEMBL12486599 0.84 JAK3 (0.58) BTKJAK3MAP4K4
SCHEMBL12485681 0.84 HRH4 (0.49) BTKS100A4HRH4JAK3
SCHEMBL12484536 0.84 HRH4 (0.49) BTKS100A4HRH4JAK3

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 BTK 4572/4885S100A4 1526/4885HRH4 4/4885
US-10640490-B2 Diaminopyrimidine derivatives and processes for the preparation thereof HRH2, GIPR, SSTR4 BTK 4572/4885S100A4 1526/4885HRH4 4/4885
US-20180072705-A1 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 BTK 4572/4885S100A4 1526/4885HRH4 4/4885

“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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