SCHEMBL3860303

SCHEMBL3860303

Cc1csc(-c2ccc(=O)n(Cc3ccc4c(c3)OCCO4)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BRD4 O60885 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ TNFRSF1A P19438 1/20 0.36
▸ MAPK10 P53779 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PDCD1 Q15116 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
SCHEMBL14005957 0.77 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL3867953 0.74 CYP2D6 (0.49) CYP2D6SMN1; SMN2CMA1ALDH1A1KMT2A
SCHEMBL31066579 0.68 CYP2D6 (0.58) CYP2D6MAPTSMN1; SMN2CMA1ALDH1A1
SCHEMBL19805655 0.67 SDHB (0.50) —
SCHEMBL19805652 0.67 SDHB (0.72) —
SCHEMBL5433850 0.66 SCN9A (0.46) SMN1; SMN2CMA1ALDH1A1KMT2ABRD4
SCHEMBL5445096 0.64 ERN1 (0.45) MAPTBRD4
SCHEMBL5433847 0.64 GSK3B (0.50) CYP2D6MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL18764555 0.63 MKNK1 (0.68) CMA1GAA
SCHEMBL10059955 0.62 KDM4E (0.55) CYP2D6SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 — — EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 — — WO disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 — — 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET CYP2D6 519/4885MAPT 3170/4885SMN1; SMN2 864/4885

“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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