SCHEMBL24392086

SCHEMBL24392086

CCc1nn(CCOc2cc3c(=O)n(C)c(C#N)c(C(C)C)c3cc2OC)c(=O)c2cc(OC)c(OC)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ TNF P01375 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SRC P12931 7/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PLK4 O00444 1/20 0.31

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
SCHEMBL24391579 0.89 TNF (0.32) SMN1; SMN2MAPK1TNFTSHRSRC
SCHEMBL24393059 0.66 TNF (0.45) SMN1; SMN2MAPK1TNFTSHRLMNA
SCHEMBL11548628 0.61 SMN1; SMN2 (0.38) SMN1; SMN2TNFPDE10APDE3BPDE3A
SCHEMBL28815732 0.58 MAPT (0.38) SMN1; SMN2MAPK1PDE10ALMNAMAPT
SCHEMBL11547286 0.57 TNF (0.38) MAPK1TNFLMNAMAPTKMT2A
SCHEMBL24392642 0.56 EGFR (0.60) SRC
SCHEMBL11550575 0.56 TNF (0.38) SMN1; SMN2MAPK1TNFPDE10ALMNA
SCHEMBL27359869 0.55 PDE10A (0.47) SMN1; SMN2MAPK1PDE10ASRCKDM4E
SCHEMBL28917138 0.53 ENPP1 (0.63) SMN1; SMN2MAPK1LMNA
SCHEMBL8598436 0.53 TNF (0.41) SMN1; SMN2MAPK1TNFPDE10AMEN1

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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — 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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 SMN1; SMN2 1740/4885MAPK1 1947/4885KDM5A 2061/4885

“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.

Send feedback