SCHEMBL6947266

SCHEMBL6947266

N#CNC(S)=Nc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.44
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCC9 O60706 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KCNJ11 Q14654 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KIF11 P52732 1/20 0.36
NOS3 P29474 2/20 0.35

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
SCHEMBL4582736 0.81 KMT2A (0.44) ALDH1A1CYP1A2ALOX15NFKB1CYP2C19
SCHEMBL7898821 0.80 HTR3E (0.50) ALDH1A1CYP3A4CYP1A2MAPK1ABCC9
SCHEMBL6213539 0.78 ALDH1A1 (0.64) PLGALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6213542 0.78 ALDH1A1 (0.64) PLGALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6953869 0.77 SMN1; SMN2 (0.38) ALDH1A1KMT2AUSP2SMN1; SMN2
SCHEMBL6953872 0.77 SMN1; SMN2 (0.38) ALDH1A1KMT2AUSP2SMN1; SMN2
SCHEMBL24872316 0.75 CYP3A4 (0.44) PLGALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL7978023 0.74 SMN1; SMN2 (0.57) PLGALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1309528 0.74 SMN1; SMN2 (0.57) PLGALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL8916683 0.71 KCNJ11 (0.32) KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-6646129-B2 Treatment of psoriasis and skin cancer LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-11-11 US disclosed
EP-0984938-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-10 EP disclosed
EP-0984936-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-03 EP disclosed
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S 2002-08-08 US 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
US-6300345-B1 AS ANTIPROLIFERATIVE AGENT Leo Pharmacuetical Products Ltd. A/S (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-10-09 US disclosed
US-6197797-B1 ANTICANCER AGENTS; SKIN DISORDERS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-03-06 US disclosed
US-6121297-A SUCH AS N-CYANO-N'-(11-PHENOXYUNDECYL)-N?-4-PYRIDYLGUANIDINE; N-CYANO-N'-(10-PHENOXYDECYL)-N?-4-PYRIDYLGUANIDINE; N-CYANO-N'-(9-PHENOXYNONYL)-N?-4-PYRIDYLGUANIDINE; OR THEIR SALTS; TREATING SKIN CANCER LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2000-09-19 US disclosed
EP-0984939-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
EP-0984936-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054145-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
WO-1998054141-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US 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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT PLG 2228/4885ALDH1A1 900/4885CYP3A4 1156/4885
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors CCNC, MKI67, CCNI PLG 1351/4885ALDH1A1 2883/4885CYP3A4 1525/4885

“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.