SCHEMBL12807167

SCHEMBL12807167

CCCCCc1ccc2c(n1)NCC(=O)N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ BRPF1 P55201 1/20 0.39
▸ ITGAV P06756 3/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR2 P34972 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADRB2 P07550 2/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ ADRB3 P13945 2/20 0.32
▸ MIF P14174 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCH P24723 1/20 0.31
▸ PRKCE Q02156 1/20 0.31

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
SCHEMBL12807021 0.76 ITGAV (0.42) KCNH2ITGAVITGB3SMN1; SMN2CNR2
SCHEMBL1841385 0.70 KCNH2 (0.39) KCNH2ITGAVITGB3CNR2MEN1
SCHEMBL12807146 0.68 KCNH2 (0.41) KCNH2ITGAVITGB3MEN1KMT2A
SCHEMBL3780127 0.67 BRPF1 (0.43) BRPF1
SCHEMBL12405339 0.66 BRPF1 (0.57) BRPF1SMN1; SMN2
SCHEMBL1828910 0.66 ITGAV (0.45) KCNH2ITGAVITGB3ITGB6
SCHEMBL12807162 0.66 KCNH2 (0.40) KCNH2ITGAVITGB3HTR1ADRD2
SCHEMBL1814245 0.64 KCNH2 (0.38) KCNH2ITGAVITGB3SMN1; SMN2ITGB6
SCHEMBL16754505 0.64 KCNH2 (0.38) KCNH2SMN1; SMN2CNR2MIF
SCHEMBL16238712 0.64 KCNH2 (0.38) KCNH2SMN1; SMN2CNR2MIF

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 3 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
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

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 KCNH2 3594/4885BRPF1 359/4885ITGAV 4645/4885

“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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