SCHEMBL1837126

SCHEMBL1837126

Cc1cnccc1NC(=O)N1CCC(C)(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.37
▸ NPY5R Q15761 2/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR2A P28223 4/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IL2 P60568 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ PIKFYVE Q9Y2I7 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KDM1A O60341 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
SCHEMBL12653797 0.92 NPY5R (0.37) DHODHNPY5RHTR2CHTR2AHDAC1
SCHEMBL12654620 0.92 CYP11B2 (0.39) DHODHNPY5RHTR2CHTR2ATRPV1
SCHEMBL1816126 0.88 CA2 (0.43) HTR2CHTR2ATRPV1CA2CA9
SCHEMBL17655334 0.86 CYP11B2 (0.39) DHODHNPY5RHTR2CHTR2ACYP1A2
SCHEMBL17655382 0.85 HTR2C (0.41) DHODHNPY5RHTR2CHTR2ACA2
SCHEMBL12654436 0.85 MPL (0.44) NPY5RCA2CA9KMOADORA2A
SCHEMBL18415691 0.83 KDM1A (0.39) DHODHNPY5RHTR2CHTR2ATRPV1
SCHEMBL12959028 0.83 FGFR4 (0.45) DHODHNPY5RTRPV1CA2CA9
SCHEMBL12654621 0.83 CYP11B2 (0.40) DHODHNPY5RHTR2CHTR2AHDAC1
SCHEMBL12654419 0.83 PHGDH (0.41) NPY5RHTR2CHTR2ATRPV1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — 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 (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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DHODH 1383/4885NPY5R 728/4885HTR2C 3245/4885

“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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