SCHEMBL5238945

SCHEMBL5238945

CC(=O)c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.71
MAPT P10636 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.60
MEN1 O00255 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NAMPT P43490 1/20 0.52
ESRRB O95718 1/20 0.49
ESR1 P03372 1/20 0.49
ESRRA P11474 1/20 0.49
ESRRG P62508 1/20 0.49
PDK2 Q15119 1/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL1481563 0.95 GPR119 (0.78) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL64850 0.87 SMN1; SMN2 (0.57) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL13281422 0.86 MAPT (0.62) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL5231173 0.86 GPR119 (0.70) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL21750394 0.86 MAPT (0.56) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL5231126 0.86 MAPT (0.56) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL5573222 0.86 MAPT (0.76) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL5236861 0.85 MAPT (0.61) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL411201 0.85 MAPT (0.61) GPR119MAPTKMT2AALDH1A1LMNA
SCHEMBL5230610 0.85 ALDH1A1 (0.61) GPR119MAPTKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-6849631-B2 Semicarbazides and their uses BRISTOL MYERS SQUIBB PHARMA COMPANY (US) 2005-02-01 US disclosed
EP-1351956-A1 SEMICARBAZIDES AND THEIR USES AS CYCLIN DEPENDENT KINASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
US-20020091127-A1 Semicarbazides and their uses BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-11 US disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
WO-2002046182-A1 SEMICARBAZIDES AND THEIR USES AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-13 WO disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 US 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 (3 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 GPR119 2038/4885MAPT 4275/4885KMT2A 1836/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 GPR119 558/4885MAPT 4452/4885KMT2A 2660/4885
US-20020091127-A1 Semicarbazides and their uses CDK1, CCNA1, CDK17 GPR119 1896/4885MAPT 4673/4885KMT2A 1423/4885

“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.