SCHEMBL1815134

SCHEMBL1815134

CC1CCN(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
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ KDR P35968 3/20 0.39
▸ BRAF P15056 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ GPR142 Q7Z601 1/20 0.39
▸ EGFR P00533 2/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ CNR1 P21554 1/20 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
SCHEMBL12654104 0.90 DDR1 (0.41) CA2CA9KDM1AHTR2AHTR2C
SCHEMBL17655440 0.88 MPL (0.44) CA2CA9KDM1AKMOKDR
SCHEMBL18415691 0.87 KDM1A (0.39) CA2CA9KDM1AHTR2AHTR2C
SCHEMBL17655387 0.87 KDM1A (0.38) CA2CA9KDM1AHTR2AHTR2C
SCHEMBL12654065 0.86 TRPM8 (0.42) CA2CA9TRPM8KDM1AHTR2A
SCHEMBL12654140 0.84 KMO (0.39) CA2CA9KDM1AKMOTRPV1
SCHEMBL12654101 0.83 HTR2C (0.51) CA2CA9TRPM8HTR2AHTR2C
SCHEMBL12654500 0.83 CA2 (0.44) CA2CA9HTR2AHTR2CHTR2B
SCHEMBL12654414 0.83 TRPA1 (0.43) KDM1ACNR1CNR2
SCHEMBL12654139 0.83 L3MBTL1 (0.41) CA2CA9KDM1AKMOKDR

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 CA2 4329/4885CA9 4761/4885TRPM8 1392/4885

“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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