SCHEMBL6499548

SCHEMBL6499548

NC(=O)Nc1cn(-c2cccc(-c3ccc(O)cc3)c2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.45
SCN9A Q15858 1/20 0.44
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IRAK4 Q9NWZ3 4/20 0.40
LMNA P02545 6/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IKBKB O14920 2/20 0.39
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL6508710 0.92 IKBKB (0.47) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6501255 0.91 ITK (0.45) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6506096 0.90 SCN9A (0.48) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6498355 0.90 KDM4E (0.47) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6500705 0.89 MEN1 (0.44) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6467910 0.89 ITK (0.44) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6465740 0.88 IRAK4 (0.46) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6498765 0.88 MAPT (0.46) ITKSCN9AKDM4EMAPTALDH1A1
SCHEMBL6498693 0.88 KDM4E (0.46) ITKKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6468754 0.88 ITK (0.43) ITKSCN9AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11284623-B2 Pesticidal mixtures BASF CORPORATION (US) 2022-03-29 US disclosed
US-20180289013-A1 Pesticidal Mixtures BASF CORP (US) 2018-10-11 US disclosed
US-20150313241-A1 Pesticidal Mixtures BASF CORP (US) 2015-11-05 US disclosed
EP-2922395-A1 PESTICIDAL MIXTURES BASF Corporation (US) 2015-09-30 EP disclosed
WO-2014079772-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
WO-2014079773-A1 PESTICIDAL MIXTURES BASF SE (DE) 2014-05-30 WO disclosed
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-17 US disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC ITK 1742/4885SCN9A 3541/4885KDM4E 182/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 ITK 4236/4885SCN9A 4159/4885KDM4E 2424/4885

“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.