SCHEMBL2480641

SCHEMBL2480641

Cn1ccnc1CNCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
OPRK1 P41145 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
BCHE P06276 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ROCK1 Q13464 1/20 0.39

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
SCHEMBL1797127 0.86 OPRK1 (0.45) MEN1KMT2AOPRK1EGLN1TRPM5
SCHEMBL28719275 0.83 SIGMAR1 (0.49) MEN1KMT2ATDP1CYP2D6BCHE
SCHEMBL13661138 0.81 CHRM2 (0.49) MEN1KMT2AOPRK1ALOX15
SCHEMBL23736024 0.80 MEN1 (0.41) MEN1KMT2AOPRK1EGLN1TRPM5
SCHEMBL1205063 0.79 MEN1 (0.54) MEN1KMT2AOPRK1TRPM5
SCHEMBL1044189 0.79 KMT2A (0.54) MEN1KMT2ATDP1EGLN1
SCHEMBL14274043 0.78 OPRK1 (0.43) MEN1KMT2AOPRK1TRPM5
Hydrochloric Acid SCHEMBL10581220 0.78 HSP90AA1 (0.51) MEN1KMT2ACYP1A2CYP2D6EGLN1
Hydrochloric Acid SCHEMBL1875423 0.77 KMT2A (0.53) MEN1KMT2ATDP1EGLN1
SCHEMBL3401058 0.77 KMT2A (0.53) MEN1KMT2ATDP1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114044780-B Zinc ion near-infrared fluorescent probe and preparation method and application thereof 福建师范大学 2022-11-22 CN claimed
CN-114044780-A Zinc ion near-infrared fluorescent probe and preparation method and application thereof 福建师范大学 2022-02-15 CN claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP claimed
CN-114044780-B Zinc ion near-infrared fluorescent probe and preparation method and application thereof 福建师范大学 2022-11-22 CN disclosed
CN-114044780-A Zinc ion near-infrared fluorescent probe and preparation method and application thereof 福建师范大学 2022-02-15 CN disclosed
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO disclosed
EP-1385820-B1 ANTHRANILIC ACID AMIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS ANTIARRHYTHMIA AGENTS, AND PHARMACEUTICAL PREPARATIONS THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2011-10-12 EP disclosed
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-24 US disclosed
US-20050137200-A1 Potassium channel modulators; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-23 US disclosed
US-6903216-B2 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-07 US disclosed
EP-1399423-A2 ANTHRANILIC ACID AMIDES WITH A HETEROARYLSULFONYL SIDE CHAIN, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC AGENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2004-03-24 EP disclosed
EP-1385820-A1 ANTHRANILIC ACID AMIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS ANTIARRHYTHMIA AGENTS, AND PHARMACEUTICAL PREPARATIONS THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2004-02-04 EP disclosed
US-20030187033-A1 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-02 US disclosed
US-20030114499-A1 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-19 US disclosed
WO-2002100825-A2 ANTHRANILIC ACID AMIDES WITH A HETEROARYLSULFONYL SIDE CHAIN, AND USE THEREOF AS ANTIARRHYTHMIC ACTIVE SUBSTANCES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-19 WO disclosed
WO-2002088073-A1 ANTHRANILIC ACID AMIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS ANTIARRHYTHMIA AGENTS, AND PHARMACEUTICAL PREPARATIONS THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-07 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 MEN1 1992/4885KMT2A 3524/4885OPRK1 87/4885
US-20050137200-A1 Potassium channel modulators; antiarrhythmia agents KCNJ2, KCNQ5, KCNH1 MEN1 3672/4885KMT2A 185/4885OPRK1 1818/4885
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE KCNH1, KCNH2, KCNJ2 MEN1 3308/4885KMT2A 587/4885OPRK1 1407/4885
US-20030114499-A1 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use KCNJ2, KCNQ5, KCNH1 MEN1 3688/4885KMT2A 155/4885OPRK1 2367/4885
US-20030187033-A1 Anthranilamides and methods of their use KCNH1, KCNJ2, KCNH2 MEN1 3152/4885KMT2A 514/4885OPRK1 1400/4885

“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.