SCHEMBL3355707

SCHEMBL3355707

C=CC(=O)NNc1nccc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.39
SCN9A Q15858 11/20 0.39
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 1/20 0.36
EGFR P00533 1/20 0.35
ITK Q08881 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM5A P29375 1/20 0.35
JMJD1C Q15652 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
KCNH2 Q12809 8/20 0.35
SCN5A Q14524 7/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL9420180 0.73 XPO1 (0.38) XPO1
SCHEMBL27838930 0.71 SCN9A (0.46) SCN9AKDM4EKDM5AJMJD1CKDM3A
SCHEMBL15305786 0.69 KDM4E (0.46) SCN9AKDM4EKDM5AJMJD1CKDM3A
SCHEMBL18891258 0.69 SCN9A (0.45) SCN9AKDM4EKDM5AJMJD1CKDM3A
SCHEMBL2828674 0.69 EGFR (0.51) PTPN1PTPN11EGFRITK
SCHEMBL29405208 0.68
SCHEMBL2519939 0.68
SCHEMBL18891261 0.67 SCN9A (0.46) SCN9AKDM4EKDM5AJMJD1CKDM3A
SCHEMBL27838989 0.67 SCN9A (0.44) SCN9AKDM4EKCNH2SCN5A
SCHEMBL27819501 0.67 POLB (0.44) SCN9AKDM4EKDM5AJMJD1CKDM3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
EP-1877388-A2 HYDRAZINOMETHYL, HYDRAZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS Kudos Pharmaceuticals Ltd (GB) 2008-01-16 EP disclosed
US-20060199804-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 US disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 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 (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-20060199804-A1 Compounds CA4, CA6, CYP2B6 XPO1 69/4885SCN9A 1505/4885PTPN1 3718/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 XPO1 64/4885SCN9A 1318/4885PTPN1 4059/4885

“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.