SCHEMBL6716720

SCHEMBL6716720

COc1cc(C2=NCCc3c(F)cccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.41
CHEK1 O14757 2/20 0.41
MAPK14 Q16539 3/20 0.38
MAPK9 P45984 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL7066626 0.82 MAPK10 (0.49) MAPK10CHEK1MAPK14MAPK9CA1
SCHEMBL6724928 0.81 MAPK10 (0.45) MAPK10MAPK14MAPK9CA1CA2
SCHEMBL6715013 0.75 MAPK10 (0.53) MAPK10MAPK14MAPK9CA1CA2
SCHEMBL7368572 0.70 MAPK10 (0.47) MAPK10MAPK14MAPK9CA1CA2
SCHEMBL11224598 0.70 CHEK1 (0.61) CHEK1ALDH1A1LMNATDP1
SCHEMBL26832242 0.67 ALDH1A1 (0.46) ALDH1A1LMNATDP1
SCHEMBL359057 0.67 ALDH1A1 (0.61) CHEK1ALDH1A1LMNATDP1
SCHEMBL30423771 0.67 ALDH1A1 (0.61) CHEK1ALDH1A1LMNATDP1
SCHEMBL3070384 0.67 NISCH (0.38) ALDH1A1
SCHEMBL13478295 0.66 PKM (0.64) MAPK10MAPK14MAPK9CA1CA2

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 1836/4885CHEK1 4184/4885MAPK14 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.