SCHEMBL2487707

SCHEMBL2487707

COc1ccc(Cn2ncc3c4c(cnc32)CC(NCc2ccccc2)CC4)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 2/20 0.48
SIRT2 Q8IXJ6 6/20 0.45
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GRIN2B Q13224 1/20 0.42
DRD3 P35462 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.40
PDE4B Q07343 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL12315715 0.87 LMNA (0.46) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL2486573 0.84 ALDH1A1 (0.44) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL2484040 0.84 MTNR1A (0.45) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2487179 0.84 LMNA (0.43) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL2484561 0.83 CYP2C19 (0.47) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2486174 0.81 LMNA (0.45) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2490474 0.81 ALDH1A1 (0.43) LMNAALDH1A1MAPTHPGDALOX15
SCHEMBL2491028 0.80 CNR2 (0.41) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL2485311 0.80 ALDH1A1 (0.47) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2489746 0.79 ALDH1A1 (0.39) 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 9 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
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 KMT2A 1795/4885MEN1 1822/4885LMNA 1591/4885

“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.