SCHEMBL20254261

SCHEMBL20254261

N#Cc1cc(C#N)cc(-c2ccc(-c3cc4c(-c5ccccc5)c5sc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c(-c5ccccc5)c4s3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.43
▸ ADORA1 P30542 4/20 0.43
▸ CYP1A2 P05177 6/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ABCG2 Q9UNQ0 5/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL20248875 0.97 ADORA2A (0.43) ADORA2AADORA1CYP1A2CYP3A4MEN1
SCHEMBL20254263 0.87 HPGDS (0.37) ADORA2AADORA1MEN1KMT2ACLK4
SCHEMBL20254266 0.86 CYP1A1 (0.38) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL20248874 0.86 ADORA2A (0.54) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL20254282 0.85 XDH (0.32) ADORA2ACYP1A2CYP3A4MEN1KMT2A
SCHEMBL20248870 0.84 ADORA2A (0.49) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL20248871 0.81 ADORA2A (0.51) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL25776229 0.80 ABCG2 (0.51) ADORA2AADORA1CYP1A2CYP3A4MEN1
SCHEMBL20248902 0.79 MEN1 (0.51) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL20254262 0.79 HPGDS (0.33) ADORA2ACYP1A2CYP3A4MEN1KMT2A

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-10347846-B2 Organic compound for organic EL device and using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-07-09 — — US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 — — 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-10347846-B2 Organic compound for organic EL device and using the same L1CAM, ESR1, XPO4 ADORA2A 2256/4885ADORA1 912/4885CYP1A2 515/4885
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME L1CAM, ESR1, XPO4 ADORA2A 2256/4885ADORA1 912/4885CYP1A2 515/4885

“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.

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