SCHEMBL16258705

SCHEMBL16258705

Clc1ccc(CNc2nc(N3CCNCC3)nc3ncccc23)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.67
HTR2A P28223 1/20 0.44
CSNK1D P48730 2/20 0.43
CSNK1E P49674 2/20 0.43
SRC P12931 1/20 0.42
ACHE P22303 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
DPP4 P27487 1/20 0.42
INPPL1 O15357 1/20 0.41
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
S1PR2 O95136 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL16242150 0.85 CCR4 (0.61) CCR4HTR2AACHEHTR3AHRH4
SCHEMBL16242019 0.83 CCR4 (0.65) CCR4HTR3AHRH4
SCHEMBL16242020 0.83 CCR4 (0.70) CCR4KDM4E
SCHEMBL16241955 0.83 CCR4 (0.70) CCR4
SCHEMBL5417240 0.80 CCR4 (1.00) CCR4
SCHEMBL5417235 0.80 CCR4 (1.00) CCR4
SCHEMBL16678823 0.80 CCR4 (0.79) CCR4
SCHEMBL16242148 0.80 CCR4 (0.81) CCR4
SCHEMBL16242149 0.80 CCR4 (0.81) CCR4
SCHEMBL5408559 0.80 CCR4 (0.57) CCR4LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 1/4885HTR2A 2637/4885CSNK1D 2190/4885

“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.