SCHEMBL2808052

SCHEMBL2808052

COc1cccc(CNC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KIT P10721 1/20 0.47
ROCK2 O75116 2/20 0.46
RYR2 Q92736 1/20 0.46
NAMPT P43490 3/20 0.45
MAPK1 P28482 3/20 0.44
ROCK1 Q13464 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2803625 0.86 MAPK1 (0.55) NAMPTMAPK1
SCHEMBL2802299 0.85 NPC1 (0.61) KITMAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL2804018 0.83 NAMPT (0.48) ROCK2NAMPTROCK1
SCHEMBL2804632 0.83 NAMPT (0.44) NAMPTMAPK1SMN1; SMN2
SCHEMBL2804050 0.81 NAMPT (0.52) ROCK2NAMPTMAPK1
SCHEMBL2804990 0.80 NAMPT (0.46) KITNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2802871 0.79 LMNA (0.52) NAMPTMAPK1ALDH1A1HTT
SCHEMBL2804250 0.78 KMT2A (0.41) KITNAMPTALDH1A1
SCHEMBL2808042 0.78 ROCK2 (0.47) PKMROCK2ROCK1SMN1; SMN2HTT
SCHEMBL2809081 0.77 KMT2A (0.43) ROCK2MAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 PKM 1722/4885KIT 655/4885ROCK2 1391/4885

“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.