SCHEMBL1628842

SCHEMBL1628842

COc1cc(OC)c(-c2ccnn2-c2ccccc2)cc1SCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
ALK Q9UM73 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
PDE10A Q9Y233 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PPARG P37231 2/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
TERT O14746 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
METAP2 P50579 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38

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
SCHEMBL1628852 0.78 ALK (0.41) MAPTALKPDE10AALDH1A1LMNA
SCHEMBL1630549 0.77 L3MBTL1 (0.44) MAPTNPSR1PPARGNR2E3NCOR2
SCHEMBL1629762 0.76 HSP90AA1 (0.39) MAPTNPSR1PPARGNR2E3NCOR2
SCHEMBL1628610 0.75 ALK (0.41) MAPTALKPDE10AALDH1A1KDM4E
SCHEMBL12722869 0.74 PDE10A (0.49) MAPTPDE10AALDH1A1LMNAHTT
SCHEMBL12722862 0.74 HSP90AA1 (0.47) MAPTALKPDE10AALDH1A1
SCHEMBL1629555 0.73 PDE10A (0.48) MAPTPOLBALKPDE10AALDH1A1
SCHEMBL12722780 0.73 PDE10A (0.44) MAPTPDE10AALDH1A1
SCHEMBL1630451 0.71 NR3C2 (0.39) MAPTPDE10AALDH1A1LMNAMEN1
SCHEMBL12722811 0.70 PDE10A (0.48) MAPTPOLBPDE10AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 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 (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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P MAPT 2299/4885POLB 3527/4885ALK 4564/4885

“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.