SCHEMBL31106988

SCHEMBL31106988

CC(C)n1cc(C#N)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.61
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.47
STAT3 P40763 1/20 0.46
XDH P47989 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44

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
SCHEMBL8266974 1.00 IMPDH2 (0.61) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL22320202 0.83 IMPDH2 (0.54) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL16473786 0.80 IMPDH2 (0.50) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL1254742 0.78 IMPDH2 (0.51) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL30041728 0.78 IMPDH2 (0.51) IMPDH2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL24853984 0.77 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2XDHLMNAGAA
SCHEMBL28592975 0.77 XDH (0.45) IMPDH2ALDH1A1XDHLMNA
SCHEMBL30173392 0.77 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2XDHLMNAGAA
SCHEMBL10095261 0.77 XDH (0.43) IMPDH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL30173391 0.77 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2XDHLMNAGAA

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-20240293331-A1 ORAL FORMULATION CONTAINING 1-(3-CYANO-1-ISOPROPYL-INDOL-5-YL)PYRAZOLE-4-CARBOXYLIC ACID LG CHEM, LTD. (KR) 2024-09-05 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-20240293331-A1 ORAL FORMULATION CONTAINING 1-(3-CYANO-1-ISOPROPYL-INDOL-5-YL)PYRAZOLE-4-CARBOXYLIC ACID PGA5, IDO1, CYP3A5 IMPDH2 64/4885ALDH1A1 1287/4885SMN1; SMN2 3682/4885

“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.