SCHEMBL2129489

SCHEMBL2129489

CCC(C)(C)N=C(NC#N)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 14/20 1.00
KCNJ11 Q14654 14/20 1.00
ABCC8 Q09428 8/20 1.00
KCNJ8 Q15842 8/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
KMT2A Q03164 1/20 1.00
P2RX7 Q99572 1/20 0.52
NAMPT P43490 1/20 0.49
LMNA P02545 1/20 0.49
TBXA2R P21731 3/20 0.48
TBXAS1 P24557 3/20 0.48

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
SCHEMBL2129487 1.00 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL12648389 1.00 ABCC9 (1.00) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11162954 0.89 ABCC9 (0.80) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL6369800 0.87 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11166863 0.87 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11157791 0.82 ABCC9 (0.70) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL8774811 0.81 ABCC9 (0.69) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL8747789 0.78 KMT2A (0.63) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL9456841 0.78 ABCC9 (0.73) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL3701757 0.77 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA SA (DE) 2014-05-22 US claimed
US-20120100229-A1 Treatment and Prevention of White Matter Injury with KATP Channel Activators YALE UNIVERSITY 2012-04-26 US claimed
EP-1123082-B1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA SA (FR) 2006-03-01 EP claimed
US-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS AVENTIS PHARMA S.A. (FR) 2003-05-01 US claimed
EP-1123082-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT Aventis Pharma Deutschland GmbH (DE) 2001-08-16 EP claimed
WO-2000024366-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-05-04 WO claimed
EP-0618798-B1 PYRIDYLGUANIDINE COMPOUNDS FOR TREATMENT OF ERECTILE DYSFUNCTION UPJOHN CO (US) 1997-03-12 EP claimed
US-5488059-A N-CYANO-N'-/1,1-DIMETHYLPROPYL/-N?-3-PYRIDINYLGUANIDINE THE UPJOHN COMPANY (US) 1996-01-30 US claimed
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA SA (DE) 2014-05-22 US disclosed
US-20120277235-A1 Compositions For Topical Application Having Androgenic Actions AVENTIS PHARMA S.A 2012-11-01 US disclosed
US-20120100229-A1 Treatment and Prevention of White Matter Injury with KATP Channel Activators YALE UNIVERSITY 2012-04-26 US disclosed
US-20110065763-A1 Compositions for Topical Application Having Androgenic Actions AVENTIS PHARMA S.A 2011-03-17 US disclosed
WO-2010111518-A1 TREATMENT AND PREVENTION OF WHITE MATTER INJURY WITH KATP CHANNEL ACTIVATORS YALE UNIVERSITY (US) 2010-09-30 WO disclosed
US-20090093487-A1 Compositions for topical application having androgenic actions AVENTIS PHARMA S.A. 2009-04-09 US disclosed
WO-2000024366-A1 PREPARATIONS FOR TOPICAL APPLICATION OF SUBSTANCES HAVING ANTIANDROGENIC EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-05-04 WO disclosed
EP-0618798-B1 PYRIDYLGUANIDINE COMPOUNDS FOR TREATMENT OF ERECTILE DYSFUNCTION UPJOHN CO (US) 1997-03-12 EP disclosed
US-5525742-A IDENTIFICATION OF BIOCHEMICAL COMPONENTS FORMING ATP-SENSITIVE POTASSIUM CHANNELS IN SMOOTH MUSCLE CELLS THE UPJOHN COMPANY (US) 1996-06-11 US disclosed
US-5488059-A N-CYANO-N'-/1,1-DIMETHYLPROPYL/-N?-3-PYRIDINYLGUANIDINE THE UPJOHN COMPANY (US) 1996-01-30 US disclosed
US-5488059-A N-CYANO-N'-/1,1-DIMETHYLPROPYL/-N?-3-PYRIDINYLGUANIDINE THE UPJOHN COMPANY (US) 1996-01-30 US disclosed
WO-1993012788-A1 PYRIDYLGUANIDINE COMPOUNDS FOR TREATMENT OF ERECTILE DYSFUNCTION THE UPJOHN COMPANY (US) 1993-07-08 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-20030083322-A1 COMPOSITIONS FOR TOPICAL APPLICATION HAVING ANDREGENIC ACTIONS NR5A1, CYP17A1, CYP19A1 ABCC9 4551/4885KCNJ11 2385/4885ABCC8 4251/4885
US-20090093487-A1 Compositions for topical application having androgenic actions NR5A1, CYP17A1, CYP19A1 ABCC9 4555/4885KCNJ11 3184/4885ABCC8 3942/4885
US-20140142124-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 ABCC9 4555/4885KCNJ11 3184/4885ABCC8 3942/4885
US-20110065763-A1 Compositions for Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 ABCC9 4555/4885KCNJ11 3184/4885ABCC8 3942/4885
US-20120277235-A1 Compositions For Topical Application Having Androgenic Actions NR5A1, CYP17A1, CYP19A1 ABCC9 4539/4885KCNJ11 3067/4885ABCC8 3832/4885

“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.