SCHEMBL2804194

SCHEMBL2804194

COc1ccc(Cn2ncc3c4c(cnc32)CCc2[nH]c(=O)ccc2-4)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 5/20 0.43
PDE1B Q01064 5/20 0.43
PDE1C Q14123 5/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPBWR1 P48145 7/20 0.40
PDE9A O76083 1/20 0.38
MCHR1 Q99705 1/20 0.37
CNR2 P34972 3/20 0.37
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL2804966 0.79 ALDH1A1 (0.45) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2806808 0.79 ALDH1A1 (0.44) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL12315707 0.78 MAPT (0.42) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2805918 0.78 MAPT (0.43) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL13273412 0.77 ALDH1A1 (0.41) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2512329 0.77 ALDH1A1 (0.48) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2803963 0.76 ALDH1A1 (0.43) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2487126 0.76 MAPT (0.45) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2486938 0.76 ALDH1A1 (0.40) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL2490576 0.76 ALDH1A1 (0.41) PDE1APDE1BPDE1CALDH1A1LMNA

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 PDE1A 4469/4885PDE1B 3557/4885PDE1C 4198/4885

“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.