SCHEMBL12654499

SCHEMBL12654499

Cc1cc(NC(=O)N2CCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ KMO O15229 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ TP53 P04637 2/20 0.38

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
SCHEMBL12959008 0.89 PHGDH (0.49) MEN1ALDH1A1KMT2AADORA2AKMO
SCHEMBL12654500 0.89 CA2 (0.44) CA2CA9KMONPC1SMN1; SMN2
SCHEMBL12959003 0.88 HTR2C (0.44) CA2CA9MAPTDHODHNPC1
SCHEMBL17655481 0.87 KMO (0.43) MEN1KMT2ACA2CA9ADORA2A
SCHEMBL12959004 0.86 TRPA1 (0.44) MEN1ALDH1A1KMT2AADORA2AMAPT
SCHEMBL17655381 0.84 SMN1; SMN2 (0.39) ALDH1A1KMT2ACA2CA9ADORA2A
SCHEMBL12654516 0.84 P2RX1 (0.48) MEN1ALDH1A1KMT2ACA2CA9
SCHEMBL12654504 0.84 FYN (0.39) MEN1ALDH1A1KMT2ACA2CA9
SCHEMBL12959011 0.83 CA2 (0.44) MEN1ALDH1A1KMT2ACA2CA9
SCHEMBL12654397 0.83 FAAH (0.41) MEN1KMT2ACA2CA9ADORA2A

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 MEN1 4129/4885ALDH1A1 2260/4885KMT2A 1417/4885

“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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