SCHEMBL2671981

SCHEMBL2671981

Cn1cnc(-c2ccc(N)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2B6 P20813 1/20 0.51
KEAP1 Q14145 1/20 0.50
LRRK2 Q5S007 1/20 0.50
HRH4 Q9H3N8 2/20 0.44
TLR8 Q9NR97 1/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 3/20 0.41
MTOR P42345 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8250569 0.82 LRRK2 (0.59) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL16606147 0.81 CYP2E1 (0.49) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL1725165 0.80 CYP2E1 (0.51) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL10985144 0.80 CYP2E1 (0.51) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
Ammonia Solution, Strong SCHEMBL28862446 0.80 LRRK2 (0.58) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL12427197 0.80 CYP2E1 (0.51) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL9966328 0.79 CYP2E1 (0.56) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL3919604 0.79 CYP2E1 (0.56) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL3440322 0.79 CYP2C9 (0.47) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL311156 0.79 CYP2E1 (0.65) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 EP disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-8173699-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173699-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder TRIESELMANN THOMAS 2009-09-03 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
CN-101166723-A New compound for the treatinginflammatory disease BOEHRINGER INGELHEIM PHARMA (DE) 2008-04-23 CN disclosed
EP-1877376-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-01-16 EP disclosed
US-20060258861-A1 Respiratory or gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-16 US disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 WO disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
EP-0094727-A2 Substituted heterocyclyl phenylformamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-11-23 EP 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-20060258861-A1 Respiratory or gastrointestinal disorders; cancer CYP2E1, UGT1A1, SLC26A4 CYP2C9 42/4885CYP2C19 61/4885CYP2E1 1/4885
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 CYP2C9 116/4885CYP2C19 163/4885CYP2E1 423/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 CYP2C9 419/4885CYP2C19 375/4885CYP2E1 587/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CYP2C9 2779/4885CYP2C19 2275/4885CYP2E1 2594/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CYP2C9 2122/4885CYP2C19 2549/4885CYP2E1 415/4885

“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.