SCHEMBL3221399

SCHEMBL3221399

CCOC(=O)c1nc2ccncn2c1I

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
NTRK1 P04629 1/20 0.40
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ELANE P08246 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BRAF P15056 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL16039248 0.84 PDE4A (0.46) PDE4APTGS1PTGS2MAPK1GAA
SCHEMBL2447965 0.80 PTGS1 (0.65) PDE4APTGS1PTGS2MAPK1GAA
SCHEMBL24616744 0.77 PDE4A (0.54) PDE4APTGS1PTGS2MAPK1GAA
SCHEMBL18737531 0.74 PDE4A (0.51) PDE4APTGS1PTGS2MAPK1GAA
SCHEMBL17492366 0.74 PDE4A (1.00) PDE4APTGS1PTGS2MAPK1GAA
SCHEMBL9966053 0.74 PDE4A (0.53) PDE4APTGS1PTGS2MAPK1ELANE
SCHEMBL15767331 0.74 PDE4A (0.53) PDE4APTGS1PTGS2MAPK1GAA
SCHEMBL14957015 0.72 KDM4E (0.47) MAPK1GAACYP1A2SMN1; SMN2CYP2C9
SCHEMBL20579735 0.72 CYP1A2 (0.72) MAPK1NTRK1CYP1A2SMN1; SMN2CYP2C9
SCHEMBL17810189 0.71 PDE4A (0.50) PDE4APTGS1PTGS2MAPK1GAA

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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 PDE4A 4437/4885PTGS1 4549/4885PTGS2 4445/4885

“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.