SCHEMBL16258707

SCHEMBL16258707

Clc1ccc(CNc2cc(Cl)nc(N3CCNCC3)n2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 16/20 0.55
DPP4 P27487 1/20 0.45
INPPL1 O15357 1/20 0.44
ACHE P22303 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL16692262 0.80 CCR4 (0.46) CCR4DPP4INPPL1ESR1ESR2
SCHEMBL16692263 0.79 CCR4 (0.45) CCR4DPP4INPPL1ESR1ESR2
SCHEMBL18534006 0.79 CCR4 (0.45) CCR4DPP4INPPL1ESR1ESR2
SCHEMBL18533995 0.78 ACHE (0.39) CCR4ACHE
SCHEMBL16258648 0.78 CCR4 (0.51) CCR4
SCHEMBL16241952 0.78 CCR4 (0.80) CCR4
SCHEMBL16241953 0.78 CCR4 (0.80) CCR4
SCHEMBL16258705 0.77 CCR4 (0.67) CCR4DPP4INPPL1ACHE
SCHEMBL16242203 0.77 CCR4 (0.63) CCR4
SCHEMBL16242204 0.77 CCR4 (0.63) CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885DPP4 65/4885INPPL1 1763/4885

“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.