SCHEMBL21546996

SCHEMBL21546996

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.37
▸ PTPN5 P54829 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ ENPP1 P22413 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ CSNK2A3 Q8NEV1 1/20 0.31
▸ CLK4 Q9HAZ1 3/20 0.31
▸ SYK P43405 2/20 0.31
▸ CYP1A2 P05177 4/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2D6 P10635 2/20 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
SCHEMBL21546908 0.89 PGR (0.39) PGRTNKSCSNK2A2CSNK2BCSNK2A1
SCHEMBL21546995 0.88 PGR (0.35) PGRPTPN5PDK2ENPP1PDPK1
SCHEMBL21547161 0.88 ENPP1 (0.33) PGRPTPN5PDK2ENPP1
SCHEMBL21189113 0.87 PGR (0.39) PGRTNKSCSNK2A2CSNK2BCSNK2A1
SCHEMBL22760771 0.87 MAT2A (0.35) PGRPTPN5ENPP1PDPK1TNKS
SCHEMBL21546444 0.86 ENPP1 (0.34) PGRPTPN5PDK2ENPP1PDPK1
SCHEMBL21546731 0.85 ENPP1 (0.34) PGRPTPN5PDK2ENPP1
SCHEMBL22156056 0.82 ALDH1A1 (0.33) PGRCYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL22760793 0.82 PTPN5 (0.40) PGRPTPN5PDK2ENPP1PDPK1
SCHEMBL22761171 0.82 PTPN5 (0.43) PGRPTPN5PDK2ENPP1CLK4

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 PGR 3398/4885PTPN5 4550/4885PDK2 2517/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PGR 3398/4885PTPN5 4550/4885PDK2 2517/4885

“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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