SCHEMBL21777019

SCHEMBL21777019

CCn1c(-c2ccc(N)cc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 1.00
ALDH1A1 P00352 10/20 1.00
HPGD P15428 6/20 1.00
RAB9A P51151 4/20 0.69
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
NPC1 O15118 3/20 0.69
HTT P42858 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
CYP1A2 P05177 2/20 0.69
MEN1 O00255 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
GFER P55789 1/20 0.69
KMT2A Q03164 1/20 0.69
HSD17B10 Q99714 4/20 0.65
TP53 P04637 4/20 0.65
GAA P10253 2/20 0.65
PKM P14618 1/20 0.65

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
SCHEMBL5310612 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL19275978 0.87 KDM4E (0.77) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL5009162 0.87 KDM4E (0.77) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL29991849 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL21769699 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL18969121 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL11440211 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL11313561 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL16692218 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL31267426 0.84 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9AMAPT

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-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-12-23 US disclosed
US-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-12-23 US disclosed
EP-3843853-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-07-07 EP disclosed
WO-2020043880-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-03-05 WO disclosed
WO-2020043880-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-03-05 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-20210395242-A1 HETEROCYCLIC COMPOUNDS AS AHR MODULATORS AHR, ARNT, AIPL1 KDM4E 1044/4885ALDH1A1 253/4885HPGD 112/4885

“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.