SCHEMBL16242020

SCHEMBL16242020

CCC(=O)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 11/20 0.70
EPHX2 P34913 2/20 0.47
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MC4R P32245 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL16241955 0.90 CCR4 (0.70) CCR4EPHX2MC4R
SCHEMBL16242019 0.86 CCR4 (0.65) CCR4EPHX2
SCHEMBL16678823 0.85 CCR4 (0.79) CCR4EPHX2MAPK1
SCHEMBL16242150 0.85 CCR4 (0.61) CCR4
SCHEMBL14518695 0.83 CCR4 (0.64) CCR4EPHX2MC4R
SCHEMBL16258705 0.83 CCR4 (0.67) CCR4KDM4E
SCHEMBL5417235 0.82 CCR4 (1.00) CCR4
SCHEMBL5417240 0.82 CCR4 (1.00) CCR4
SCHEMBL16242149 0.81 CCR4 (0.81) CCR4EPHX2
SCHEMBL16242148 0.81 CCR4 (0.81) CCR4EPHX2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126500-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-05-07 US claimed
EP-2805947-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2014-11-26 EP claimed
EP-2805947-B1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-02-22 EP disclosed
EP-2805947-B1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-02-22 EP disclosed
US-9493453-B2 Piperazinyl pyrimidine derivatives, preparation method and use thereof The Institute of Pharmacology and Toxicology Academy of Military Medical Science P.L.A. China (CN) 2016-11-15 US disclosed
US-9493453-B2 Piperazinyl pyrimidine derivatives, preparation method and use thereof The Institute of Pharmacology and Toxicology Academy of Military Medical Science P.L.A. China (CN) 2016-11-15 US disclosed
US-9493453-B2 Piperazinyl pyrimidine derivatives, preparation method and use thereof The Institute of Pharmacology and Toxicology Academy of Military Medical Science P.L.A. China (CN) 2016-11-15 US disclosed
US-20150126500-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-05-07 US disclosed
US-20150126500-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-05-07 US disclosed
US-20150126500-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-05-07 US disclosed
EP-2805947-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2014-11-26 EP disclosed
EP-2805947-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2014-11-26 EP 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 (1 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-20150126500-A1 PIPERAZINYL PYRIMIDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF CCR4, CCR1, CCR3 CCR4 1/4885EPHX2 514/4885TSHR 3676/4885

“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.