SCHEMBL21701892

SCHEMBL21701892

N#Cc1cccc(-c2cccc3c2-c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc2C32c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.42
CYP3A4 P08684 7/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
LMNA P02545 5/20 0.42
CYP2D6 P10635 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP2C19 P33261 3/20 0.42
TSHR P16473 3/20 0.42
CYP2C9 P11712 2/20 0.42
ADORA2A P29274 6/20 0.40
ADORA1 P30542 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPK1 P28482 3/20 0.40
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL21701886 0.96 CYP1A2 (0.40) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL21702011 0.93 MEN1 (0.38) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL21702210 0.93 ABCG2 (0.39) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL21343102 0.92 CYP1A2 (0.39) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL22907996 0.91 CYP1A2 (0.40) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL21343110 0.90 MEN1 (0.35) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL21702199 0.88 ABCG2 (0.39) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL22907998 0.87 CYP1A2 (0.41) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL21701878 0.87 CYP1A2 (0.42) CYP1A2CYP3A4MEN1KMT2ACLK4
SCHEMBL21702150 0.87 PDK2 (0.47) CYP1A2CYP3A4MEN1KMT2ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING 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 (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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 CYP1A2 15/4885CYP3A4 22/4885MEN1 319/4885

“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.