SCHEMBL23947502

SCHEMBL23947502

COc1cc(Cl)ccc1-c1c(Br)ccnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
AMY1A P0DUB6 2/20 0.37
DYRK1A Q13627 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
SCN9A Q15858 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
GAK O14976 1/20 0.36
AGPAT2 O15120 3/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL23947001 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1KDM4ECCNT1
SCHEMBL23947574 0.80 ALDH1A1 (0.45) HSP90AA1HSP90AB1ALDH1A1KDM4ECYP1A2
SCHEMBL23947101 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
SCHEMBL23947106 0.72 NSD2 (0.42) HSP90AA1HSP90AB1MAPTNR4A2
SCHEMBL25608266 0.72 KDM4E (0.38) HSP90AA1HSP90AB1KDM4ECCNT1CDK9
SCHEMBL19802986 0.71 KMT2A (0.39) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
SCHEMBL585492 0.71 TRPV4 (0.50) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
SCHEMBL29359707 0.71 TRPV4 (0.50) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
Magnesium SCHEMBL30697198 0.69 TRPV4 (0.48) HSP90AA1HSP90AB1ALDH1A1KDM4EAMY1A
SCHEMBL27764911 0.69 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1KDM4ECCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
WO-2021210911-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-10-21 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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY2, CYBA, AHR HSP90AA1 4526/4885HSP90AB1 4323/4885ALDH1A1 484/4885

“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.