SCHEMBL3844259

SCHEMBL3844259

Oc1ccc(-c2cccs2)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 11/20 0.47
RAB9A P51151 10/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
TP53 P04637 2/20 0.47
HCRTR1 O43613 1/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KLF5 Q13887 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL12608094 0.79 MEN1 (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14451000 0.76 NPC1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1781624 0.76 MAPT (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30661703 0.76 NPC1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14538334 0.72 KDM4E (0.73) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2162823 0.72 MAPT (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12164249 0.72 NPC1 (0.59) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2161739 0.70 MEN1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3262277 0.69 KDM4E (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14051391 0.68 CNR2 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1

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 4 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
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
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 MAPT 3170/4885MEN1 358/4885KMT2A 2851/4885

“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.