SCHEMBL164098

SCHEMBL164098

NC(N)=Nc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 1.00
POLB P06746 1/20 0.65
SLC22A2 O15244 6/20 0.56
SLC22A1 O15245 6/20 0.56
SLC22A3 O75751 6/20 0.56
PLAU P00749 6/20 0.56
HTR3E A5X5Y0 5/20 0.56
HTR3B O95264 5/20 0.56
HTR3A P46098 5/20 0.56
HTR3D Q70Z44 5/20 0.56
HTR3C Q8WXA8 5/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
Hydrochloric Acid SCHEMBL11099753 0.97 PLG (0.95) PLGPOLBSLC22A2SLC22A1SLC22A3
SCHEMBL1703486 0.80 PLG (0.67) PLGPOLBSLC22A2SLC22A1SLC22A3
Phenylguanidine SCHEMBL29091382 0.75 SLC22A2 (0.71) PLGPOLBSLC22A2SLC22A1SLC22A3
SCHEMBL8932568 0.74 PLG (0.58) PLGPOLBHTR3EHTR3BHTR3A
Phenylguanidine SCHEMBL467577 0.72 SLC22A2 (1.00) PLGPOLBSLC22A2SLC22A1SLC22A3
SCHEMBL1738380 0.72 POLB (0.82) PLGPOLBSLC22A2SLC22A1SLC22A3
Pyraxinine SCHEMBL2456850 0.72 HTR3E (1.00) PLGPOLBSLC22A2SLC22A1SLC22A3
SCHEMBL23411272 0.71 PLG (0.53) PLGPOLBSLC22A2SLC22A1SLC22A3
SCHEMBL6213542 0.71 ALDH1A1 (0.64) PLGNOS3NOS1NOS2CYP2D6
SCHEMBL6213539 0.71 ALDH1A1 (0.64) PLGNOS3NOS1NOS2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023068423-A1 COMPLEX ANTICANCER DRUG COMPOSITION USING PHOTOREACTIVITY AND PREPARATION METHOD THEREFOR 닥터아이앤비(주) 2023-04-27 WO claimed
EP-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 EP claimed
CN-103073486-A Polymorphs of N-(6-(4-chlorophenyloxy)hexyl)-N'-cyano-N\"-(4-pyridyl)guanidine, and preparation methods and applications thereof TIANJIN HEMEI BIOLOG TECHNOLOGY CO LTD 2013-05-01 CN claimed
EP-1838696-A1 NOVEL CYANOGUANIDINE COMPOUNDS Leo Pharma A/S (DK) 2007-10-03 EP claimed
WO-2006066584-A1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-29 WO claimed
EP-1397355-A1 PYRIDYL CYANOGUANIDINE COMPOUNDS Leo Pharma A/S (DK) 2004-03-17 EP claimed
CN-1121389-C Cyanoguanidine as cell proliferation inhibitor LEO PHARM PROD LTD (DK) 2003-09-17 CN claimed
WO-2002094813-A1 NOVEL PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA A/S (DK) 2002-11-28 WO claimed
CN-1314890-A Cyanoguanidines as cell proliferation inhibitors LEO PHARM PROD LTD (DK) 2001-09-26 CN claimed
WO-2023068423-A1 COMPLEX ANTICANCER DRUG COMPOSITION USING PHOTOREACTIVITY AND PREPARATION METHOD THEREFOR 닥터아이앤비(주) 2023-04-27 WO disclosed
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
EP-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
EP-2611778-B1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM LLC (US) 2015-08-05 EP disclosed
US-20020165201-A1 Cyanoguanidine prodrugs LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-11-07 US disclosed
WO-2002042265-A2 CYANOGUANIDINE PRODRUGS LEO PHARMA A/S (DK) 2002-05-30 WO disclosed
US-6346520-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS; PSORIASIS LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-02-12 US disclosed
US-6346541-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS FOR BREAST, LUNG, AND SKIN CANCER LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-12 US disclosed
CN-1314890-A Cyanoguanidines as cell proliferation inhibitors LEO PHARM PROD LTD (DK) 2001-09-26 CN disclosed
CN-1258279-A Cyanoguanidines as cell proliferation inhibitors LEO PHARM PROD LTD (DK) 2000-06-28 CN 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 (2 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-20020165201-A1 Cyanoguanidine prodrugs CBR1, SIGMAR1, ROR1 PLG 1800/4885POLB 1563/4885SLC22A2 2992/4885
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 PLG 671/4885POLB 4109/4885SLC22A2 3257/4885

“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.