SCHEMBL6724936

SCHEMBL6724936

Nc1cccc(C2=NCCc3ccc(F)cc32)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.50
NPY5R Q15761 1/20 0.43
MAPK14 Q16539 2/20 0.41
MAPK9 P45984 1/20 0.41
MAP4K4 O95819 3/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLK1 P06870 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
PKM P14618 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL6718788 0.89 MAPK10 (0.53) MAPK10NPY5RMAPK14MAPK9MAP4K4
SCHEMBL6720533 0.84 MAPK10 (0.50) MAPK10MAPK14MAPK9NOS3NOS2
SCHEMBL2334077 0.84 MAPK10 (0.51) MAPK10MAPK14MAPK9NOS3NOS2
SCHEMBL6769119 0.82 NOS3 (0.53) MAPK10MAPK14MAPK9MAP4K4NOS3
Hydrochloric Acid SCHEMBL6718286 0.82 MAPK10 (0.53) MAPK10MAPK14MAPK9PLGPLAU
SCHEMBL6779933 0.78 MAPK10 (0.48) MAPK10NPY5RMAPK14MAPK9
SCHEMBL1969339 0.77 MAPK10 (0.61) MAPK10MAPK14MAPK9NOS3NOS2
SCHEMBL6724767 0.75 MAPK10 (0.55) MAPK10MAPK14MAPK9
SCHEMBL3066116 0.73 MAPK10 (0.48) MAPK10NPY5RMAPK14MAPK9NISCH
SCHEMBL6780736 0.73 MAPK10 (0.43) MAPK10NPY5RMAPK14MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A MAPK10 1836/4885NPY5R 2560/4885MAPK14 2713/4885

“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.