SCHEMBL247951

SCHEMBL247951

Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccccn4)cc3)cc2)ccn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 2/20 0.59
▸ HDAC1 Q13547 4/20 0.57
▸ KDM1A O60341 3/20 0.57
▸ PSEN1 P49768 1/20 0.57
▸ PSEN2 P49810 1/20 0.57
▸ APH1B Q8WW43 1/20 0.57
▸ NCSTN Q92542 1/20 0.57
▸ APH1A Q96BI3 1/20 0.57
▸ PSENEN Q9NZ42 1/20 0.57
▸ ROCK2 O75116 1/20 0.54
▸ RPS6KA5 O75582 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ PRKCG P05129 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ GSK3A P49840 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ PRKX P51817 1/20 0.54

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
SCHEMBL248886 0.90 ROCK2 (0.64) WNT3AHDAC1PSEN1PSEN2APH1B
SCHEMBL248089 0.86 WNT3A (0.60) WNT3AHDAC1KDM1APSEN1PSEN2
SCHEMBL27593845 0.84 HPGDS (0.68) HDAC1KDM1AROCK2RPS6KA5MAP4K4
SCHEMBL14082179 0.83 HPGDS (0.73) HDAC1ROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL17704486 0.83 TRPV1 (0.67) HPGDSHDAC8HDAC6
SCHEMBL246715 0.82 WNT3A (0.61) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL248751 0.82 PSEN1 (0.59) WNT3AHDAC1KDM1APSEN1PSEN2
SCHEMBL14082168 0.81 MMP13 (0.72) ROCK2RPS6KA5MAP4K4PRKCGPRKACA
SCHEMBL14082165 0.81 KDM4E (0.61) HDAC1KDM1AROCK2RPS6KA5MAP4K4
SCHEMBL14082288 0.81 RAB9A (0.61) HDAC1KDM1AROCK2RPS6KA5MAP4K4

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 13 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
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
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
EP-2588453-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2013-05-08 — — EP 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
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
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 WNT3A 1/4885HDAC1 830/4885KDM1A 3143/4885

“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.

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