SCHEMBL19909028

SCHEMBL19909028

N#Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-c5ccncc5)cc4-n4c5ccccc5c5ccc(-c6cccc(C#N)c6)cc54)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.38
ALDH1A3 P47895 1/20 0.37
AURKA O14965 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ADORA2A P29274 1/20 0.36
AKT1 P31749 1/20 0.36
FLT3 P36888 2/20 0.36
SQOR Q9Y6N5 1/20 0.35
CLK4 Q9HAZ1 3/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
GRM5 P41594 2/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL19909027 0.96 AURKA (0.39) CYP1A2CYP3A4CYP2C9USP2HPGD
SCHEMBL19919819 0.94 USP2 (0.40) CYP1A2CYP3A4CYP2C9USP2HPGD
SCHEMBL19919616 0.94 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9USP2HPGD
SCHEMBL19909519 0.93 FLT3 (0.34) CYP1A2CYP3A4CYP2C9USP2HPGD
SCHEMBL19909025 0.92 FLT3 (0.39) GSK3AGSK3BFLT3SQORCLK4
SCHEMBL19913201 0.91 IMPDH2 (0.41) CYP1A2CYP2C9GSK3AGSK3BSQOR
SCHEMBL22760961 0.91 ALDH1A3 (0.39) CYP1A2CYP3A4CYP2C9ALDH1A3ADORA2A
SCHEMBL19913132 0.90 USP2 (0.40) CYP1A2CYP3A4CYP2C9USP2HPGD
SCHEMBL19913202 0.90 CYP19A1 (0.38) CYP1A2CYP3A4CYP2C9USP2HPGD
SCHEMBL20619570 0.90 NEK1 (0.45) CYP1A2CYP3A4CYP2C9USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 CYP1A2 344/4885CYP3A4 339/4885CYP2C9 102/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 CYP1A2 2290/4885CYP3A4 1955/4885CYP2C9 1631/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 CYP1A2 344/4885CYP3A4 339/4885CYP2C9 102/4885

“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.