SCHEMBL2804769

SCHEMBL2804769

Nc1nc(Cl)cc(N2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.59
CASP5 P51878 1/20 0.59
KMT2A Q03164 1/20 0.58
HRH3 Q9Y5N1 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH4 Q9H3N8 4/20 0.50
DRD4 P21917 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
PPARG P37231 1/20 0.48

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
SCHEMBL27825453 0.90 SIGMAR1 (0.57) CASP1CASP5KMT2AHRH3CYP1A2
SCHEMBL27825516 0.89 MAPT (0.55) CASP1CASP5KMT2ACYP1A2CYP2D6
SCHEMBL27825393 0.87 KMT2A (0.60) CASP1CASP5KMT2ACYP1A2CYP2D6
SCHEMBL28793696 0.87 KMT2A (0.54) CASP1CASP5KMT2AHRH3CYP1A2
SCHEMBL27844457 0.87 KMT2A (0.55) CASP1CASP5KMT2AHRH3CYP1A2
SCHEMBL27825392 0.86 MAPT (0.52) CASP1CASP5KMT2AHRH3CYP1A2
SCHEMBL28790353 0.86 MAPT (0.52) CASP1CASP5KMT2AHRH3CYP1A2
SCHEMBL27844459 0.84 KDM4E (0.53) CASP1CASP5KMT2ACYP1A2CYP2D6
SCHEMBL27737307 0.83 CASP1 (0.59) CASP1CASP5KMT2AMAPTNPC1
SCHEMBL27844455 0.83 CASP1 (0.63) CASP1CASP5KMT2ACYP1A2CYP2D6

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 9 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
CN-101411704-B Use of pyrimidine-substituted phenylpropionic acid compound in preparing medicament for preventing and/or treating diabetes SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2012-02-01 CN 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
CN-101411704-A Use of pyrimidine-substituted phenylpropionic acid compound in preparing medicament for preventing and/or treating diabetes SHANGHAI INST MATERIA MEDICA (CN) 2009-04-22 CN 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 CASP1 2838/4885CASP5 1352/4885KMT2A 3412/4885

“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.