Sugi Predict

Sugi Predict / Compounds / SCHEMBL2489970

SCHEMBL2489970

SCHEMBL2489970

COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)Cc2ccccc2)CC4)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ABCB1 P08183 1/20 0.47
▸ ABCC1 P33527 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GPR183 P32249 1/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41

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
SCHEMBL2488863 0.87 ALDH1A1 (0.43) ABCB1ABCC1ALDH1A1MAPTHPGD
SCHEMBL2488683 0.86 FAAH (0.52) NPC1ALDH1A1MAPTHPGDNPSR1
SCHEMBL2489943 0.85 ADORA1 (0.46) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL2802902 0.85 ADORA1 (0.44) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL2485333 0.83 HPGD (0.52) KMT2AALDH1A1MAPTHPGDNPSR1
SCHEMBL2488918 0.83 MAPT (0.51) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL2805078 0.83 ADORA1 (0.44) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL2486745 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL2488514 0.82 ADORA1 (0.46) KMT2AALDH1A1MAPTHPGDNPSR1
SCHEMBL12315755 0.81 ADORA1 (0.43) ALDH1A1MAPTHPGDNPSR1HSD17B10

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 1795/4885NPC1 205/4885ABCB1 171/4885

“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.