Sugi Predict

Sugi Predict / Compounds / SCHEMBL2808293

SCHEMBL2808293

SCHEMBL2808293

c1cc(N2CCN(c3ncc4c(n3)CCc3cnc5[nH]ncc5c3-4)CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ OGA O60502 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ NCF1 P14598 1/20 0.32

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
SCHEMBL2802930 0.86 HTR2A (0.37) MAPTUSP2LMNASMN1; SMN2POLB
SCHEMBL2802873 0.85 PIK3CA (0.45) MAPTSMN1; SMN2POLBHTR2AHTR2C
SCHEMBL2803986 0.81 LMNA (0.57) MAPTUSP2LMNASMN1; SMN2POLB
SCHEMBL2803930 0.79 ALDH1A1 (0.48) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL2805252 0.78 PIK3CD (0.37) HTR2AHTR2CPIK3CDPIK3CAPIK3CB
SCHEMBL2802641 0.78 MAPT (0.53) MAPTLMNAHTR2AHTR2CALDH1A1
SCHEMBL2802227 0.77 TSHR (0.42) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL2510584 0.72 CDK2 (0.41) POLBALDH1A1
SCHEMBL2486661 0.70 CCNA2 (0.38) HTR2C
SCHEMBL2802884 0.68 CDK2 (0.47) OGA

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 MAPT 3332/4885USP2 4160/4885LMNA 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.