SCHEMBL21717445

SCHEMBL21717445

c1cc(-n2c3ccccc3c3ccc4ccccc4c32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)c2ccccc2n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.31
CHEK2 O96017 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21717696 0.97 CHEK2 (0.32) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL21717141 0.93 ALDH1A1 (0.33) GSRCHEK2KDM4EALDH1A1MAPT
SCHEMBL21717348 0.91 GSR (0.34) GSRCHEK2KDM4EALDH1A1MAPT
SCHEMBL21716370 0.91 PTGES (0.32) GSRCHEK2
SCHEMBL21717325 0.89 GSR (0.34) GSRCHEK2KDM4EALDH1A1MAPT
SCHEMBL21717086 0.89 CHEK2 (0.35) GSRCHEK2KDM4EALDH1A1MAPT
SCHEMBL21717250 0.88 MEN1 (0.32) CHEK2
SCHEMBL21716368 0.87 PTGES (0.32) CHEK2
SCHEMBL21716416 0.87 GSR (0.31) GSR
SCHEMBL21716278 0.87 GSR (0.35) GSRCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 GSR 3951/4885CHEK2 2353/4885KDM4E 1813/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885CHEK2 2353/4885KDM4E 1813/4885

“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.