Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806192

SCHEMBL2806192

SCHEMBL2806192

COc1ccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HTR6 P50406 3/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ HMOX1 P09601 1/20 0.42
▸ PKM P14618 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ GLRA3 O75311 2/20 0.38
▸ GLRB P48167 2/20 0.38

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
SCHEMBL2802827 0.92 CYP3A4 (0.56) CYP3A4CYP2C19SMN1; SMN2NPSR1HTR6
SCHEMBL2805569 0.88 KMT2A (0.43) HMOX1MAPTKMT2AMEN1
SCHEMBL2802910 0.84 PKM (0.52) SMN1; SMN2PKMKMT2ALMNAMEN1
SCHEMBL2803231 0.83 MEN1 (0.51) PKMMAPTKMT2ALMNAMEN1
SCHEMBL2804355 0.83 AKR1C3 (0.47) CYP3A4CYP2C19SMN1; SMN2NPSR1HTR6
SCHEMBL2806833 0.82 KMT2A (0.49) FGFR1FGFR2PKMMAPTKMT2A
SCHEMBL2805055 0.82 AKR1C3 (0.44) PKMKMT2AAKR1C3MEN1
SCHEMBL2804301 0.81 GAA (0.50) SMN1; SMN2FGFR1FGFR2HMOX1MAPT
SCHEMBL2804811 0.81 PKM (0.44) CYP2C19PKMALDH1A1
SCHEMBL2802935 0.81 MAPT (0.41) SMN1; SMN2HTR6PKMMAPTKMT2A

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 CYP3A4 811/4885CYP2C19 945/4885SMN1; SMN2 1523/4885

“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.