SCHEMBL4430137

SCHEMBL4430137

c1ccc2c(c1)N1CCN2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SIGMAR1 Q99720 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADRA2C P18825 1/20 0.41
USP2 O75604 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CDK4 P11802 1/20 0.39
ALOX15 P16050 1/20 0.39
CCND1 P24385 1/20 0.39
GAA P10253 3/20 0.38
DNMT1 P26358 1/20 0.38
RAD52 P43351 1/20 0.38
UHRF1 Q96T88 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRB1 P08588 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL15326898 0.76 KEAP1 (0.43) KEAP1MEN1KMT2ASIGMAR1ADRA2C
SCHEMBL4427808 0.75 ADRA2C (0.53) KEAP1MEN1KMT2ANPC1RAB9A
SCHEMBL7819847 0.72 SIGMAR1 (0.50) KEAP1MEN1KMT2ASIGMAR1NPC1
SCHEMBL4427099 0.71 MAPK1 (0.54) KEAP1SIGMAR1RAB9AADRA2CALDH1A1
SCHEMBL11326554 0.71 MAPK1 (0.54) KEAP1SIGMAR1RAB9AADRA2CALDH1A1
SCHEMBL9607913 0.71 SIGMAR1 (0.48) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL16786521 0.70 DDB1 (0.52) MEN1KMT2AALDH1A1ADRB1
SCHEMBL30261935 0.69 SIGMAR1 (0.48) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL12153468 0.69 SIGMAR1 (0.48) MEN1KMT2ASIGMAR1NPC1RAB9A
SCHEMBL15326871 0.68 NPC1 (0.51) MEN1KMT2ANPC1RAB9AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
WO-2012052104-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 WO disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7879221-B2 oxidation of anode comprising metal corresponding to metal ion in reaction medium in the presence of organic compound which is optionally substituted mono, bi, or polycyclic hydrocarbon in which two ring carbons have been replaced by N,O, or S, reaction of product with di, tri, or tetracarboxylic acid BASF SE (DE) 2011-02-01 US disclosed
US-7879221-B2 oxidation of anode comprising metal corresponding to metal ion in reaction medium in the presence of organic compound which is optionally substituted mono, bi, or polycyclic hydrocarbon in which two ring carbons have been replaced by N,O, or S, reaction of product with di, tri, or tetracarboxylic acid BASF SE (DE) 2011-02-01 US disclosed
WO-2010111534-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
EP-2049550-B1 METHOD FOR PRODUCING COPPER-CONTAINING ORGANOMETALLIC FRAMEWORK MATERIAL BASF SE (DE) 2010-01-06 EP disclosed
US-20090306420-A1 PROCESS FOR PREPARING COPPER-COMPRISING METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-12-10 US disclosed
US-20090306420-A1 PROCESS FOR PREPARING COPPER-COMPRISING METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-12-10 US disclosed
EP-2027307-B1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-11-04 EP disclosed
US-20090171107-A1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-07-02 US disclosed
US-20090171107-A1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2009-07-02 US disclosed
WO-2008012216-A1 METHOD FOR PRODUCING COPPER-CONTAINING ORGANOMETALLIC FRAMEWORK MATERIAL BASF SE (DE) 2008-01-31 WO disclosed
WO-2007131948-A2 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS BASF SE (DE) 2007-11-22 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 (4 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC KEAP1 345/4885MEN1 4857/4885KMT2A 4238/4885
US-20090171107-A1 PROCESS FOR PREPARING POROUS METAL ORGANIC FRAMEWORKS OSTC, OGDH, SCO2 KEAP1 2843/4885MEN1 2489/4885KMT2A 2798/4885
US-20090306420-A1 PROCESS FOR PREPARING COPPER-COMPRISING METAL ORGANIC FRAMEWORKS AOC1, AOC2, AOC3 KEAP1 207/4885MEN1 975/4885KMT2A 2523/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 KEAP1 194/4885MEN1 4843/4885KMT2A 4204/4885

“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.