SCHEMBL2805145

SCHEMBL2805145

Clc1cc(Cl)nc(NCc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.55
LMNA P02545 3/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNN1 Q92952 1/20 0.54
KCNN2 Q9H2S1 1/20 0.54
KCNN3 Q9UGI6 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
IGF1R P08069 1/20 0.54
PDGFRB P09619 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54

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
SCHEMBL3711426 0.88 HTT (0.63) LMNAGAAL3MBTL1AURKADAPK3
SCHEMBL11868989 0.84 APP (0.51) LMNAHTTKDM4EMAPTAPP
SCHEMBL10672823 0.84 HTT (0.71) LMNAGAAL3MBTL1AURKADAPK3
SCHEMBL7024590 0.83 APP (0.54) KCNH3L3MBTL1CDK9APP
SCHEMBL3298289 0.83 KCNH3 (0.73) KCNH3LMNAGAAL3MBTL1RAD52
SCHEMBL3549143 0.82 KCNH3 (0.53) KCNH3GAAL3MBTL1KCNN1KCNN2
SCHEMBL1562297 0.82 APP (0.59) KCNH3LMNAGAAL3MBTL1RAD52
SCHEMBL11788237 0.82 KCNH3 (0.61) KCNH3LMNAGAAL3MBTL1RAD52
SCHEMBL3553378 0.80 PKM (0.61) LMNACLK4RAD52HTTKDM4E
SCHEMBL12322288 0.80 DAPK3 (0.61) LMNAGAAL3MBTL1KCNN1KCNN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
WO-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 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 (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-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG KCNH3 3774/4885LMNA 2582/4885GAA 4251/4885

“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.