SCHEMBL20085804

SCHEMBL20085804

Cc1nc2c(Cl)c(I)ccn2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HAVCR2 Q8TDQ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20085813 0.81 KDM4E (0.47) KDM4EHAVCR2ALDH1A1MAPTHTT
SCHEMBL20085805 0.78 HPGD (0.48) KDM4EALDH1A1MAPT
SCHEMBL20085807 0.78 HAVCR2 (0.35) HAVCR2
SCHEMBL20085800 0.75
SCHEMBL20089000 0.75 KDM4E (0.42) KDM4EHTTSMN1; SMN2
SCHEMBL20085801 0.74 HPGD (0.34) KDM4EALDH1A1MAPT
SCHEMBL20085803 0.73 NPC1 (0.43) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20085808 0.71 NPC1 (0.50) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20085806 0.71 NPC1 (0.47) ALDH1A1MAPTSMN1; SMN2
SCHEMBL23642651 0.70 CYP11B2 (0.47) KDM4EHAVCR2ALDH1A1MAPTHTT

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
CN-109890823-B Fused azaheterocyclic compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-11-30 CN disclosed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
US-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-12-18 US disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators GRIN3A, GRIN1, GRIN2B KDM4E 2218/4885HAVCR2 1879/4885ALDH1A1 1139/4885
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B KDM4E 2218/4885HAVCR2 1879/4885ALDH1A1 1139/4885

“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.