SCHEMBL16258648

SCHEMBL16258648

CCOC(=O)N1CCN(c2nc(Cl)cc(NCc3ccc(Cl)cc3Cl)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 8/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
TSHR P16473 1/20 0.46
IDE P14735 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL16258645 0.84 CCR4 (0.45) CCR4MEN1KMT2ANOS1NOS2
SCHEMBL16258760 0.83 CCR4 (0.44) CCR4MEN1KMT2ANOS1NOS2
SCHEMBL18534003 0.81 KMT2A (0.45) MEN1KMT2ANOS1NOS2TSHR
SCHEMBL11819377 0.79 MEN1 (0.61) MEN1KMT2ATSHRIDEMAPT
SCHEMBL16241952 0.78 CCR4 (0.80) CCR4
SCHEMBL16241953 0.78 CCR4 (0.80) CCR4
SCHEMBL16258707 0.78 CCR4 (0.55) CCR4
SCHEMBL16258638 0.78 ALDH1A1 (0.57) CCR4MEN1KMT2ATSHRMAPT
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 1/4885MEN1 4570/4885KMT2A 4290/4885

“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.