SCHEMBL245480

SCHEMBL245480

CCOC(=O)c1ccnc(C(=O)NC2CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.59
JMJD7 P0C870 1/20 0.50
PIK3CA P42336 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
JMJD6 Q6NYC1 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL4938486 0.87 SMYD3 (0.57) SMYD3RAB9AJMJD6ALOX15L3MBTL1
SCHEMBL6388163 0.82 JMJD7 (0.55) JMJD7PIK3CARAB9ASMN1; SMN2NPC1
SCHEMBL930636 0.80 JMJD6 (0.57) JMJD7PIK3CARAB9ASMN1; SMN2NPC1
SCHEMBL29466587 0.80 JMJD6 (0.57) JMJD7PIK3CARAB9ASMN1; SMN2NPC1
SCHEMBL29831193 0.79 SMYD3 (0.55) SMYD3RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL15994317 0.79 JMJD7 (0.49) JMJD7PIK3CARAB9ASMN1; SMN2NPC1
SCHEMBL28528961 0.78 JMJD6 (0.55) JMJD7PIK3CARAB9ASMN1; SMN2NPC1
SCHEMBL16578099 0.78 KDM4E (0.61) JMJD7PIK3CARAB9ASMN1; SMN2NPC1
SCHEMBL12257089 0.77 SMYD3 (0.66) SMYD3RAB9ASMN1; SMN2HPGD
SCHEMBL581406 0.76 JMJD6 (0.57) JMJD7PIK3CARAB9ASMN1; SMN2NPC1

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
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2588454-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 WO disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC SMYD3 1410/4885JMJD7 2469/4885PIK3CA 3147/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC SMYD3 1410/4885JMJD7 2469/4885PIK3CA 3147/4885

“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.