Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802902

SCHEMBL2802902

SCHEMBL2802902

COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)[C@@H](N)c2ccccc2)CC4)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HCRTR2 O43614 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL2486009 0.95 ADORA1 (0.41) ADORA1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL2489943 0.91 ADORA1 (0.46) ADORA1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL2805078 0.88 ADORA1 (0.44) ADORA1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL12315755 0.87 ADORA1 (0.43) ADORA1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL13273418 0.85 KDM4E (0.38) ADORA1ALDH1A1HSD17B10HCRTR2KDM4E
SCHEMBL2489970 0.85 KMT2A (0.48) ALDH1A1MAPTHSD17B10HPGDLMNA
SCHEMBL2488863 0.84 ALDH1A1 (0.43) ADORA1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL2802541 0.84 ADORA1 (0.41) ADORA1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL2802544 0.84 ADORA1 (0.41) ADORA1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL12315704 0.84 ADORA1 (0.41) ADORA1ALDH1A1MAPTHSD17B10HPGD

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 6 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

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 ADORA1 3692/4885ALDH1A1 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.