SCHEMBL2487710

SCHEMBL2487710

COc1ccc(Cn2ncc3c4c(cnc32)CN(S(=O)(=O)c2ccccc2)CC4)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 3/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AKR1C3 P42330 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
HSD11B1 P28845 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL12315714 0.81 ALDH1A1 (0.48) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2489846 0.81 ABCB1 (0.47) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2489970 0.80 KMT2A (0.48) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2488514 0.79 ADORA1 (0.46) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2489975 0.79 ALDH1A1 (0.43) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2488863 0.79 ALDH1A1 (0.43) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2488683 0.78 FAAH (0.52) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2489944 0.78 ALDH1A1 (0.42) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2486573 0.78 ALDH1A1 (0.44) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2489943 0.78 ADORA1 (0.46) LMNAALDH1A1MAPTHPGDALOX15

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 8 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
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP 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 LMNA 1591/4885ALDH1A1 460/4885MAPT 3332/4885

“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.