SCHEMBL3844205

SCHEMBL3844205

Nn1nc(-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 5/20 0.46
HTT P42858 3/20 0.46
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL27654543 0.77 SMN1; SMN2 (0.45) KDM4EHTTTP53ALDH1A1MAPT
SCHEMBL11142730 0.76 KMT2A (0.53) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL11150434 0.74 CA1 (0.55) KMT2AMEN1KDM4EHTTTSHR
SCHEMBL14944050 0.74 ALDH1A1 (0.44) KMT2AMEN1KDM4EHTTTP53
SCHEMBL26459294 0.73 MAPT (0.46) KMT2AKDM4EHTTPOLBALDH1A1
SCHEMBL11397967 0.73 HRH3 (0.54) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL3843267 0.73 MEN1 (0.60) KMT2AMEN1KDM4EHTTPOLB
SCHEMBL11165443 0.72 MEN1 (0.59) KMT2AMEN1KDM4EHTTPOLB
SCHEMBL20812769 0.72 HTT (0.48) KMT2AMEN1KDM4EHTTPOLB
SCHEMBL4054492 0.72 HTT (0.62) KMT2AMEN1KDM4EHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272125-B Pyridazinone derivatives MERCK PATENT GMBH 2014-01-08 CN disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
CN-102272125-A Pyridazinone derivatives 2011-12-07 CN 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 KMT2A 2851/4885MEN1 358/4885KDM4E 2602/4885

“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.