SCHEMBL2805569

SCHEMBL2805569

O=S(=O)(c1ccc(F)c(F)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.38
TP53 P04637 3/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
JAK1 P23458 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
POLB P06746 1/20 0.36
HMOX1 P09601 1/20 0.35
USP9X Q93008 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2806192 0.88 CYP3A4 (0.46) KMT2AMEN1MAPTHMOX1
SCHEMBL2803231 0.88 MEN1 (0.51) KMT2AMEN1MAPTPSEN1PSEN2
SCHEMBL2805055 0.87 AKR1C3 (0.44) KMT2AMEN1POLB
SCHEMBL2804112 0.86 KMT2A (0.44) KMT2AMEN1MAPTPSEN1PSEN2
SCHEMBL2802935 0.86 MAPT (0.41) KMT2AMEN1MAPTPOLB
SCHEMBL2805746 0.85 RAB9A (0.41) KMT2AMEN1TP53POLB
SCHEMBL2808596 0.84 MEN1 (0.45) KMT2AMEN1POLB
SCHEMBL2804811 0.84 PKM (0.44) POLBGAA
SCHEMBL2806789 0.84 TMEM97 (0.43) MAPTTP53
SCHEMBL2805902 0.84 SGK1 (0.41) KMT2AALOX5APFEN1HMOX1

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 KMT2A 1795/4885MEN1 1822/4885MAPT 3332/4885

“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.