SCHEMBL21547176

SCHEMBL21547176

Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc(C#N)c2)c(-n2c3ccccc3c3cc(C)ccc32)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ PRF1 P14222 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ CYP1A2 P05177 4/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ AR P10275 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ HRH4 Q9H3N8 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
SCHEMBL21547177 0.96 ENPP1 (0.35) ENPP1PDK2ELANEPRF1SYK
SCHEMBL21547170 0.94 ENPP1 (0.35) ENPP1PDK2ELANEPRF1SYK
SCHEMBL22761278 0.94 PDK2 (0.34) ENPP1PDK2ELANEPRF1SYK
SCHEMBL22760786 0.94 AR (0.38) ENPP1PDK2ELANEPRF1SYK
SCHEMBL22760857 0.93 PDK2 (0.36) ENPP1PDK2PRF1SYKCYP1A2
SCHEMBL21546521 0.92 ENPP1 (0.37) ENPP1PDK2PRF1MAT2ACYP1A2
SCHEMBL22760840 0.92 SYK (0.37) ENPP1PDK2ELANEPRF1SYK
SCHEMBL22761216 0.91 PDK2 (0.40) ENPP1PDK2PRF1SYKMAT2A
SCHEMBL21547171 0.90 PRF1 (0.35) ENPP1PDK2ELANEPRF1SYK
SCHEMBL22761272 0.90 PDK2 (0.34) ENPP1PDK2ELANEPRF1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 — — US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 — — US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 — — 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 (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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM ENPP1 2388/4885PDK2 2517/4885ELANE 2057/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ENPP1 2388/4885PDK2 2517/4885ELANE 2057/4885

“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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