Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803986

SCHEMBL2803986

SCHEMBL2803986

c1ccc(CN2CCN(c3ncc4c(n3)CCc3cnc5[nH]ncc5c3-4)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.57
▸ HTT P42858 4/20 0.57
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HSP90AB1 P08238 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL2802641 0.89 MAPT (0.53) LMNAHTTHTR2AHTR2CALDH1A1
SCHEMBL2802930 0.83 HTR2A (0.37) LMNAHTTHTR2AHTR2CALDH1A1
SCHEMBL2803930 0.81 ALDH1A1 (0.48) LMNAHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL2808293 0.81 MAPT (0.41) LMNAHTTHTR2AHTR2CALDH1A1
SCHEMBL2802873 0.80 PIK3CA (0.45) HTR2AHTR2CALDH1A1SMN1; SMN2HPGD
SCHEMBL2805678 0.75 RPS6KB1 (0.48) LMNAHTTROCK2ROCK1
SCHEMBL25678316 0.74 LMNA (0.67) LMNAHTTALDH1A1SMN1; SMN2GAA
SCHEMBL8897525 0.74 LMNA (0.71) LMNAHTTALDH1A1SMN1; SMN2GAA
SCHEMBL2805252 0.74 PIK3CD (0.37) HTR2AHTR2CALDH1A1
SCHEMBL9685255 0.73 HTT (1.00) LMNAHTTALDH1A1SMN1; SMN2GAA

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 LMNA 1591/4885HTT 1191/4885HTR2A 1862/4885

“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.