SCHEMBL6718892

SCHEMBL6718892

Nc1ccc(C2=NCCc3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.58
NOS2 P35228 1/20 0.58
MAOA P21397 1/20 0.44
MAPK10 P53779 4/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
PKM P14618 1/20 0.41
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL163051 0.85 MAPK10 (0.55) NOS3NOS2MAOAMAPK10CA1
SCHEMBL29384557 0.85 MAPK10 (0.55) NOS3NOS2MAOAMAPK10CA1
Hydrochloric Acid SCHEMBL27495714 0.84 MAPK10 (0.54) NOS3NOS2MAOAMAPK10CA1
SCHEMBL29498358 0.83 MAPK10 (0.55) NOS3NOS2MAOAMAPK10CA1
SCHEMBL30965936 0.83 CA1 (0.52) NOS3NOS2MAOAMAPK10CA1
SCHEMBL13805616 0.83 NOS3 (0.49) NOS3NOS2MAOAMAPK10CA1
SCHEMBL28542282 0.83 MAPK10 (0.50) NOS3NOS2MAOAMAPK10CA1
SCHEMBL21063722 0.83 CA1 (0.52) NOS3NOS2MAOAMAPK10CA1
SCHEMBL29498359 0.83 MAPK10 (0.55) NOS3NOS2MAOAMAPK10CA1
SCHEMBL11269191 0.83 MAPK10 (0.55) NOS3NOS2MAOAMAPK10CA1

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
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
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL 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 NOS3 380/4885NOS2 424/4885MAOA 532/4885

“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.