SCHEMBL1309528

SCHEMBL1309528

CSC(=Nc1ccncc1)NC#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCC9 O60706 1/20 0.40
GLA P06280 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNJ11 Q14654 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLG P00747 1/20 0.40
NOS3 P29474 2/20 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
SCHEMBL7978023 1.00 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL3287572 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13325330 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3287569 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11168013 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CYP3A4CYP1A2LMNA
SCHEMBL8772859 0.80 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10341394 0.80 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9425909 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL24872316 0.75 CYP3A4 (0.44) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL10517452 0.74 NOS1 (0.56) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8053446-B2 Cyanoguanidine compounds LEO PHARMA A/S (DK) 2011-11-08 US disclosed
US-7807682-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2010-10-05 US disclosed
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 EP disclosed
US-20080312275-A1 Novel Cyanoguanidine Compounds LEO PHARMA A/S (DK) 2008-12-18 US disclosed
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 US disclosed
US-7304066-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2007-12-04 US disclosed
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 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 (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-20080312275-A1 Novel Cyanoguanidine Compounds MKI67, CCNA1, COL1A1 SMN1; SMN2 2045/4885ALDH1A1 974/4885CYP3A4 4368/4885
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 SMN1; SMN2 2438/4885ALDH1A1 2373/4885CYP3A4 862/4885

“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.