SCHEMBL1387675

SCHEMBL1387675

CC1(C)C[C@@H](CO)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.37
CREBBP Q92793 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
PYGM P11217 1/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL5213404 1.00 PRKCA (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL5213410 1.00 PRKCA (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL8960364 0.81 BRD4 (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL8960384 0.81 BRD4 (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL1387503 0.81 BRD4 (0.37) PRKCACREBBPPDCD1CD274IRAK4
SCHEMBL17137125 0.80 IRAK4 (0.38) PRKCACREBBPIRAK4PYGM
SCHEMBL21338570 0.80 IRAK4 (0.38) PRKCACREBBPIRAK4PYGM
SCHEMBL17136876 0.80 IRAK4 (0.38) PRKCACREBBPIRAK4PYGM
SCHEMBL23298310 0.79 IRAK4 (0.33) PDCD1CD274IRAK4MAPT
SCHEMBL23298307 0.79 IRAK4 (0.33) PDCD1CD274IRAK4MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08508991-A 1996-09-24 JP claimed
EP-0693058-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1996-01-24 EP claimed
WO-1994024104-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1994-10-27 WO claimed
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-0693058-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1996-01-24 EP disclosed
WO-1994024104-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1994-10-27 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 (4 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 PRKCA 4336/4885CREBBP 2534/4885PDCD1 2822/4885
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 PRKCA 1826/4885CREBBP 456/4885PDCD1 923/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A PRKCA 1688/4885CREBBP 3357/4885PDCD1 2722/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A PRKCA 3179/4885CREBBP 3904/4885PDCD1 2568/4885

“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.