SCHEMBL29614770

SCHEMBL29614770

Cn1nc(NC(=O)NCc2ccccc2)cc1-c1ccc2ccncc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
MAPK1 P28482 4/20 0.46
NAMPT P43490 7/20 0.45
PRMT3 O60678 1/20 0.44
AURKB Q96GD4 1/20 0.44
HTT P42858 1/20 0.42
TTK P33981 1/20 0.41

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
SCHEMBL19307230 1.00 IMPDH2 (0.55) IMPDH2ROCK2ROCK1MAPK1NAMPT
SCHEMBL29614729 0.86 IMPDH2 (0.54) IMPDH2MAPK1PRMT3AURKB
SCHEMBL19307170 0.86 IMPDH2 (0.54) IMPDH2MAPK1PRMT3AURKB
SCHEMBL19307218 0.80 RAB9A (0.47) IMPDH2ROCK1HTT
SCHEMBL29614745 0.80 RAB9A (0.47) IMPDH2ROCK1HTT
SCHEMBL19307104 0.80 IMPDH2 (0.42) IMPDH2HTT
SCHEMBL29614871 0.80 IMPDH2 (0.42) IMPDH2HTT
SCHEMBL29614706 0.79 KDM4E (0.53) IMPDH2HTT
SCHEMBL19307111 0.79 KDM4E (0.53) IMPDH2HTT
SCHEMBL29450627 0.77 IMPDH2 (0.71) IMPDH2ROCK2ROCK1NAMPTPRMT3

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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 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-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 IMPDH2 551/4885ROCK2 1134/4885ROCK1 1365/4885

“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.