SCHEMBL23645932

SCHEMBL23645932

N#Cc1cccc(-c2n[nH]c3c2CNC3)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.45
USP7 Q93009 2/20 0.44
IDO1 P14902 2/20 0.43
MAOB P27338 1/20 0.43
CLK4 Q9HAZ1 1/20 0.42
SOS1 Q07889 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
USP30 Q70CQ3 1/20 0.40
LMNA P02545 1/20 0.40
MAPK10 P53779 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
SCHEMBL23645926 0.82 SOS1 (0.52) HTR7USP7SOS1
SCHEMBL19358368 0.78 USP7 (0.73) HTR7USP7IDO1MAOBCLK4
SCHEMBL23491483 0.78 HTR7 (0.66) HTR7USP7IDO1SOS1LMNA
SCHEMBL12478207 0.77 HTR7 (0.60) HTR7USP7IDO1SOS1LMNA
SCHEMBL17536743 0.76 LRRK2 (0.39) HTR7USP7IDO1MAOBADORA2A
SCHEMBL23645948 0.73 USP7 (0.64) HTR7USP7LMNAMAPK10
SCHEMBL10818194 0.71 SOS1 (0.69) HTR7SOS1LMNAMAPK10
SCHEMBL17696918 0.71 AURKA (0.60) IDO1CLK4ADORA2AADORA1MAPK10
SCHEMBL23998166 0.71 ADORA2A (0.58) IDO1MAOBCLK4ADORA2AADORA1
SCHEMBL30250859 0.71 ADORA2A (0.58) IDO1MAOBCLK4ADORA2AADORA1

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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 HTR7 1397/4885USP7 1/4885IDO1 1045/4885

“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.