Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805271

SCHEMBL2805271

SCHEMBL2805271

O=S(=O)(c1cccc2nsnc12)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.61
▸ ALDH1A1 P00352 6/20 0.51
▸ LMNA P02545 5/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ USP2 O75604 3/20 0.48
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL2802765 0.85 ALDH1A1 (0.45) MAPK1ALDH1A1LMNAKMT2ACYP2C19
SCHEMBL2804081 0.81 HTR6 (0.53) LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL2805150 0.80 ALOX5AP (0.39) MAPK1LMNAKMT2AMEN1TP53
SCHEMBL2802866 0.80 KMT2A (0.55) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2803967 0.80 HTR6 (0.43) MAPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2803593 0.80 MAPK1 (0.46) MAPK1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL2806437 0.80 ESR1 (0.39) MAPK1ALDH1A1LMNA
SCHEMBL2809144 0.79 HTR6 (0.43) LMNASMN1; SMN2
SCHEMBL2803134 0.79 HTR6 (0.43) MAPK1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL2808972 0.78 KMT2A (0.48) ALDH1A1LMNAKMT2AMEN1MAPT

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 MAPK1 3253/4885ALDH1A1 460/4885LMNA 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.