SCHEMBL1912411

SCHEMBL1912411

Cn1cc(-c2ccc(CN)cc2F)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
BRD4 O60885 8/20 0.44
CREBBP Q92793 2/20 0.43
CHKA P35790 1/20 0.39
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR2A P28223 1/20 0.36
GRM2 Q14416 1/20 0.36
BACE1 P56817 2/20 0.36
SOS1 Q07889 1/20 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
SCHEMBL26479779 0.78 HRH3 (0.52) BRD4CREBBP
SCHEMBL12095184 0.74 CREBBP (0.39) BRD4CREBBPCHKA
SCHEMBL14802437 0.74 GRM2 (0.46) NSD2BRD4CREBBPGRM2
SCHEMBL29615362 0.72 ALOX5AP (0.48) NSD2CREBBPGRM2
SCHEMBL28956664 0.72 ALOX5AP (0.48) NSD2CREBBPGRM2
SCHEMBL3349243 0.72 BRD4 (0.45) BRD4CREBBPADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL30171660 0.72 CREBBP (0.38) BRD4CREBBP
SCHEMBL6523541 0.70 BRD4 (0.43) BRD4CREBBPADORA2AADORA2BADORA1
SCHEMBL26479121 0.70 DYRK1A (0.46) BRD4CREBBPADORA2AADORA2BADORA1
SCHEMBL24924342 0.69 BRD4 (0.40) BRD4CREBBPADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
CN-102958917-B Compositions and methods for modulating the wnt signaling pathway IRM LLC (BM) 2014-10-08 CN disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
CN-102958917-A Compositions and methods for modulating the wnt signaling pathway IRM LLC 2013-03-06 CN disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 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 (1 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-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 NSD2 1471/4885BRD4 763/4885CREBBP 142/4885

“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.