SCHEMBL6724928

SCHEMBL6724928

COc1cc(C2=NCCc3c(F)cccc32)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.45
PKM P14618 1/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK14 Q16539 4/20 0.41
MAPK9 P45984 2/20 0.41
LMNA P02545 1/20 0.41
MAPK8 P45983 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL6716720 0.81 MAPK10 (0.41) MAPK10ALDH1A1TDP1MAPK14MAPK9
SCHEMBL6715175 0.80 PKM (0.57) MAPK10PKMRAD52ALDH1A1CYP3A4
SCHEMBL6716528 0.72 MAPK10 (0.58) MAPK10PKMRAD52ALDH1A1MAPK14
SCHEMBL3070384 0.70 NISCH (0.38) ALDH1A1HSD17B10
SCHEMBL3063291 0.69 SMN1; SMN2 (0.47) MAPK10ALDH1A1TSHRMAPK14MAPK9
SCHEMBL5353435 0.68 MAPK10 (0.60) MAPK10PKMRAD52ALDH1A1MAPK14
Hydrochloric Acid SCHEMBL9311868 0.67 MAPK10 (0.59) MAPK10PKMRAD52ALDH1A1MAPK14
SCHEMBL31607629 0.66 ALDH1A1 (0.63) PKMALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL31661429 0.66 ALDH1A1 (0.63) PKMALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL27186015 0.66 ALDH1A1 (0.63) PKMALDH1A1CYP3A4TSHRHSD17B10

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 2 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

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 1836/4885PKM 1869/4885RAD52 1027/4885

“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.