SCHEMBL21717685

SCHEMBL21717685

c1ccc2c(-n3c4ccccc4c4ccc5ccccc5c43)c3c4ccccc4n(-c4nc(-c5ccc6sc7ccccc7c6c5)nc5ccccc45)c3cc2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 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
SCHEMBL21716419 0.92 ROCK2 (0.35) ROCK2ROCK1PKN1PKN2ALDH1A1
SCHEMBL21716350 0.90 CYP1A2 (0.32) ROCK2ROCK1PKN1PKN2ALDH1A1
SCHEMBL21717186 0.89 ROCK2 (0.33) ROCK2ROCK1PKN1PKN2ALDH1A1
SCHEMBL21716990 0.87
SCHEMBL21717379 0.87 ABCG2 (0.34) ROCK2ROCK1PKN1PKN2ALDH1A1
SCHEMBL21717243 0.86 MEN1 (0.31)
SCHEMBL21716583 0.86
SCHEMBL21717378 0.85 ALOX5 (0.30)
SCHEMBL21717683 0.85 CHEK2 (0.34) ROCK2ROCK1PKN1PKN2ALDH1A1
SCHEMBL21717603 0.83

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 ROCK2 3979/4885ROCK1 2759/4885PKN1 1535/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 ROCK2 3979/4885ROCK1 2759/4885PKN1 1535/4885

“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.