SCHEMBL21546524

SCHEMBL21546524

N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc(C#N)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.37
▸ PDK2 Q15119 2/20 0.36
▸ PRF1 P14222 1/20 0.35
▸ PTPN5 P54829 1/20 0.34
▸ ADRA2C P18825 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ ACP1 P24666 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
SCHEMBL21547047 0.96 PRF1 (0.38) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL22761213 0.95 PDK2 (0.40) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL22761215 0.94 PDK2 (0.39) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL21546521 0.94 ENPP1 (0.37) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL22760852 0.93 ENPP1 (0.36) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL21547045 0.93 KIF11 (0.39) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL22760853 0.93 ENPP1 (0.36) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL21547103 0.93 PDK2 (0.39) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL22761241 0.93 PDK2 (0.39) ENPP1PDK2PRF1PTPN5ADRA2C
SCHEMBL22761150 0.92 PDK2 (0.35) ENPP1PDK2PRF1PTPN5ADRA2C

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 2517/4885PRF1 4364/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ENPP1 2388/4885PDK2 2517/4885PRF1 4364/4885

“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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