SCHEMBL29614729

SCHEMBL29614729

Cn1nc(NC(=O)Nc2ccccc2)cc1-c1ccc2ccncc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.54
MAPT P10636 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
GSK3B P49841 1/20 0.41
F10 P00742 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
AURKB Q96GD4 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GBA1 P04062 1/20 0.40
PRMT3 O60678 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL19307170 1.00 IMPDH2 (0.54) IMPDH2MAPTCDK5CDK5R1TAAR1
SCHEMBL19316703 0.86 IMPDH2 (0.43) IMPDH2MAPTGSK3BF10NPC1
SCHEMBL29614770 0.86 IMPDH2 (0.55) IMPDH2MAPK1AURKBPRMT3
SCHEMBL19307230 0.86 IMPDH2 (0.55) IMPDH2MAPK1AURKBPRMT3
SCHEMBL19307218 0.86 RAB9A (0.47) IMPDH2MAPTGSK3BNPC1RAB9A
SCHEMBL29614745 0.86 RAB9A (0.47) IMPDH2MAPTGSK3BNPC1RAB9A
SCHEMBL19307193 0.85 NAMPT (0.44) IMPDH2GSK3BF10NPC1RAB9A
SCHEMBL19307104 0.85 IMPDH2 (0.42) IMPDH2MAPTGSK3BNPC1RAB9A
SCHEMBL29614871 0.85 IMPDH2 (0.42) IMPDH2MAPTGSK3BNPC1RAB9A
SCHEMBL19307111 0.84 KDM4E (0.53) IMPDH2MAPTNPC1RAB9AKMT2A

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 551/4885MAPT 4843/4885CDK5 1990/4885

“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.