SCHEMBL12654500

SCHEMBL12654500

CN1CCN(C(=O)Nc2ccncc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HTR2C P28335 5/20 0.42
▸ HTR2A P28223 4/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ KDR P35968 3/20 0.41
▸ EGFR P00533 2/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ TNNI3K Q59H18 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GPR142 Q7Z601 1/20 0.39
▸ TRPV1 Q8NER1 3/20 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
SCHEMBL12959003 0.90 HTR2C (0.44) CA2CA9HTR2CHTR2AHTR2B
SCHEMBL12654499 0.89 MEN1 (0.42) CA2CA9HTR2CHTR2ASMN1; SMN2
SCHEMBL17655481 0.89 KMO (0.43) CA2CA9HTR2CHTR2ASMN1; SMN2
SCHEMBL12654396 0.88 MPL (0.45) CA2CA9HTR2CHTR2AKDR
SCHEMBL12959011 0.87 CA2 (0.44) CA2CA9HTR2CHTR2ASMN1; SMN2
SCHEMBL17655480 0.86 ALOX15 (0.47) CA2CA9HTR2CHTR2AHTR2B
SCHEMBL12654628 0.86 CA2 (0.42) CA2CA9HTR2CHTR2AHTR2B
SCHEMBL12654397 0.85 FAAH (0.41) CA2CA9HTR2CHTR2AHTR2B
SCHEMBL12654440 0.84 KMO (0.42) CA2CA9HTR2CHTR2ASMN1; SMN2
SCHEMBL19670654 0.84 CA2 (0.42) CA2CA9SMN1; SMN2NPC1GAA

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 5 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
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
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 CA2 4329/4885CA9 4761/4885HTR2C 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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