SCHEMBL14873231

SCHEMBL14873231

CNC(=O)CC(=O)NC1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
KDM1A O60341 1/20 0.44
EPHX1 P07099 3/20 0.42
POLB P06746 1/20 0.39
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA4 P48169 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPK1 P28482 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
SCHEMBL14873229 0.89 EPHX1 (0.55) GNAI3GNAO1GNAI1KDM1AEPHX1
SCHEMBL17993538 0.84 KCNH2 (0.46) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL13619770 0.83 KCNH2 (0.50) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL19027037 0.82 KDM1A (0.44) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL18330489 0.82 KDM1A (0.50) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL4782330 0.81 KCNH2 (0.52) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL12403611 0.81 KCNH2 (0.52) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL10444151 0.81 KCNH2 (0.52) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL2605746 0.81 KDM1A (0.41) KCNH2GNAI3GNAO1GNAI1KDM1A
Hydrochloric Acid SCHEMBL28301968 0.80 GNAI3 (0.53) KCNH2GNAI3GNAO1GNAI1KDM1A

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
EP-2183254-B1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2017-06-21 EP disclosed
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 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 (2 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KCNH2 4573/4885GNAI3 462/4885GNAO1 1398/4885
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 KCNH2 4613/4885GNAI3 546/4885GNAO1 1502/4885

“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.