Sugi Predict

Sugi Predict / Compounds / SCHEMBL2487929

SCHEMBL2487929

SCHEMBL2487929

O=S(=O)(c1ccccc1)N1CCc2cnc3[nH]ncc3c2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.47
▸ PSEN2 P49810 2/20 0.47
▸ APH1B Q8WW43 2/20 0.47
▸ NCSTN Q92542 2/20 0.47
▸ APH1A Q96BI3 2/20 0.47
▸ PSENEN Q9NZ42 2/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PKM P14618 4/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ HTR6 P50406 6/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ LMNA P02545 2/20 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
SCHEMBL2486302 0.77 HPGD (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2488513 0.76 NPC1 (0.54) PKMLMNASMN1; SMN2
SCHEMBL2486484 0.72 MEN1 (0.51) PKMMEN1KMT2AHTR6DRD3
SCHEMBL30226242 0.72 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2511927 0.71 NFKB1 (0.47) KMT2AALDH1A1LMNA
SCHEMBL29682974 0.70 MEN1 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19PKM
SCHEMBL395744 0.70 MEN1 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19PKM
SCHEMBL2806934 0.68 MAPT (0.43) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL2488134 0.68 BRD4 (0.40) JAK2LMNA
SCHEMBL2515607 0.68 MAPK8 (0.50) CYP2C9CYP2C19KMT2AALDH1A1LMNA

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 PSEN1 3540/4885PSEN2 3226/4885APH1B 3082/4885

“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.