SCHEMBL5617548

SCHEMBL5617548

[c]1nc(-n2ncc3ccccc32)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
LRRK2 Q5S007 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CDK9 P50750 2/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
RECQL P46063 1/20 0.36
PDE10A Q9Y233 5/20 0.34

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
SCHEMBL12075159 0.73 MKNK1 (0.46) MAPK8MAPK9MAPK10CYP11B1CYP11B2
SCHEMBL18797697 0.72 MKNK1 (0.38) MAPK8MAPK9MAPK10CYP11B1CYP11B2
SCHEMBL12075537 0.69 IRAK4 (0.57) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL31020506 0.69 IRAK4 (0.57) MAPK8MAPK9MAPK10MKNK1MKNK2
SCHEMBL21801556 0.69 LRRK2 (0.43) MAPK8MAPK9MAPK10CYP11B1CYP11B2
SCHEMBL2189180 0.68 HRH3 (0.44) MAPK8MAPK9MAPK10CYP11B1CYP11B2
SCHEMBL13052911 0.67 CYP11B2 (0.55) CYP11B1CYP11B2LRRK2MGAMGAA
SCHEMBL729956 0.67 KDM4E (0.56) CYP11B1CYP11B2LRRK2MGAMGAA
SCHEMBL30270004 0.67 KDM4E (0.56) CYP11B1CYP11B2LRRK2MGAMGAA
SCHEMBL22345403 0.67 LRRK2 (0.44) MAPK8MAPK9MAPK10CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAPK8 2667/4885MAPK9 1740/4885MAPK10 1742/4885

“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.