SCHEMBL21717170

SCHEMBL21717170

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1nc(-c2cccc3sc4ccccc4c23)nc2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABCB1 P08183 1/20 0.30
SMAD3 P84022 1/20 0.30
HIF1A Q16665 2/20 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
SCHEMBL21717714 0.96 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL21212863 0.92 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL21717103 0.90 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL21716583 0.89
SCHEMBL21717455 0.87 ABCG2 (0.31) MAPT
SCHEMBL21716716 0.86 GSR (0.32) CYP1A2
SCHEMBL21717703 0.86 MAPT (0.35) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL21717186 0.85 ROCK2 (0.33) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL21717175 0.84 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL21717715 0.82 KDM4E (0.38) CYP1A2CYP3A4CYP2D6TSHRCLK4

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 CYP1A2 6/4885CYP3A4 10/4885CYP2D6 85/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 CYP1A2 6/4885CYP3A4 10/4885CYP2D6 85/4885

“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.