SCHEMBL3440342

SCHEMBL3440342

CNC(=O)C1CN(c2ccncc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.41
CYP2C9 P11712 2/20 0.41
NOTUM Q6P988 1/20 0.40
NAMPT P43490 4/20 0.40
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
CHKA P35790 1/20 0.40
SYK P43405 1/20 0.39
ROCK2 O75116 2/20 0.38
RPS6KA5 O75582 2/20 0.38
ROCK1 Q13464 2/20 0.38
PKN2 Q16513 2/20 0.38
LRRK2 Q5S007 2/20 0.38
CHUK O15111 1/20 0.38
PRKD3 O94806 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
LTK P29376 1/20 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
SCHEMBL3440331 0.88 NOTUM (0.54) NOTUMITGB3ITGA2BSYK
SCHEMBL7011465 0.84 F10 (0.50) ITGB3ITGA2B
SCHEMBL29514669 0.80 NAMPT (0.57) TSHRHIF1ACYP2C9NAMPTITGB3
SCHEMBL29514498 0.79 NOTUM (0.51) TSHRCYP2C9NOTUMITGB3ITGA2B
SCHEMBL5053496 0.77 CHKA (0.44) TSHRCYP2C9NOTUMNAMPTITGB3
SCHEMBL30147582 0.74 TSHR (0.40) TSHRMAPK1NOTUMSYK
SCHEMBL803308 0.73 CHKA (0.47) CHKAROCK2ROCK1
Hydrochloric Acid SCHEMBL785101 0.72 CHKA (0.45) CHKAROCK2ROCK1
SCHEMBL27818330 0.70 CHKA (0.52) TSHRHIF1ACYP2C9ITGB3ITGA2B
SCHEMBL8838124 0.70 TRPV1 (0.61) TSHRHIF1ACYP2C9NAMPTCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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 (3 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 TSHR 927/4885MAPK1 3196/4885HIF1A 3176/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 TSHR 658/4885MAPK1 3101/4885HIF1A 3779/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 TSHR 2657/4885MAPK1 2405/4885HIF1A 1222/4885

“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.