SCHEMBL1655993

SCHEMBL1655993

COc1ccc2nc(N3CCOCC3)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.68
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
MAPT P10636 7/20 0.65
GAA P10253 3/20 0.65
AR P10275 1/20 0.65
TP53 P04637 5/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 3/20 0.59
LRRK2 Q5S007 1/20 0.58
HPGD P15428 3/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL16943373 0.87 RAB9A (0.56) APPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3468767 0.85 MAPT (0.65) APPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8735567 0.85 MAPT (0.62) APPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2708042 0.84 SCN4A (0.71) APPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3468668 0.82 MAPT (0.61) APPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3468725 0.81 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21154647 0.79 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21154016 0.79 RAB9A (0.74) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21114767 0.79 RAB9A (0.76) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL14824499 0.79 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTGAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2016-01-14 US disclosed
US-9174976-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2015-11-03 US disclosed
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2015-01-29 US disclosed
US-8759373-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2014-06-24 US disclosed
EP-2476669-A1 Cyanoisoquinoline compounds and methods of use thereof Fibrogen, Inc. (US) 2012-07-18 EP disclosed
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2012-07-12 US disclosed
EP-2044028-B1 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN INC (US) 2012-05-16 EP disclosed
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof FIBROGEN, INC. 2011-09-01 US disclosed
US-7928120-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2011-04-19 US disclosed
EP-2044028-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2009-04-08 EP disclosed
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 US disclosed
WO-2007090068-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2007-08-09 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 (5 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-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 APP 2622/4885NPC1 2027/4885RAB9A 4769/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 APP 3674/4885NPC1 1650/4885RAB9A 4712/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 APP 3674/4885NPC1 1650/4885RAB9A 4712/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 APP 3674/4885NPC1 1650/4885RAB9A 4712/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 APP 3674/4885NPC1 1650/4885RAB9A 4712/4885

“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.