SCHEMBL2630741

SCHEMBL2630741

NC(=O)c1cccc2c1CNC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
PARP1 P09874 10/20 0.46
TRPA1 O75762 1/20 0.44
CD44 P16070 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PDPK1 O15530 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL29945392 1.00 AURKA (0.51) AURKAPARP1TRPA1CD44HSD17B10
Hydrochloric Acid SCHEMBL30040239 0.98 AURKA (0.50) AURKAPARP1TRPA1CD44HSD17B10
SCHEMBL8206404 0.85 BCAT2 (0.46) AURKAPARP1TRPA1HSD17B10ALOX15
SCHEMBL27901033 0.84 CD44 (0.57) AURKAPARP1TRPA1CD44HSD17B10
SCHEMBL29800858 0.84 PNMT (0.53) AURKAPARP1CD44PARP2
SCHEMBL30314450 0.84 CD44 (0.57) AURKAPARP1TRPA1CD44HSD17B10
SCHEMBL15569496 0.84 PNMT (0.53) AURKAPARP1CD44PARP2
SCHEMBL1817879 0.83 ALDH1A1 (0.43) AURKATRPA1CD44HSD17B10ALOX15
SCHEMBL29662964 0.83 ALDH1A1 (0.43) AURKATRPA1CD44HSD17B10ALOX15
Hydrochloric Acid SCHEMBL2494227 0.83 PNMT (0.51) AURKAPARP1CD44PARP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 US disclosed
WO-2017158388-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
EP-2454237-A1 3-0X0-2, 3, -DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION Nerviano Medical Sciences S.r.l. (IT) 2012-05-23 EP disclosed
WO-2011006803-A8 3-0X0-2, 3, -DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-03-17 WO disclosed
WO-2011006803-A1 3-0X0-2, 3, -DIHYDRO-LH-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-01-20 WO 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-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 AURKA 869/4885PARP1 1051/4885TRPA1 4881/4885

“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.