SCHEMBL21546523

SCHEMBL21546523

N#Cc1cccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ CHEK1 O14757 1/20 0.35
▸ PRF1 P14222 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ PGR P06401 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
SCHEMBL21547102 0.97 PDK2 (0.39) PDK2PTPN5CHEK1PRF1USP2
SCHEMBL22761217 0.97 PDK2 (0.41) PDK2PTPN5CHEK1PRF1USP2
SCHEMBL22761152 0.96 PDK2 (0.39) PDK2PTPN5CHEK1PRF1USP2
SCHEMBL22761216 0.95 PDK2 (0.40) PDK2PTPN5CHEK1PRF1USP2
SCHEMBL22761194 0.95 PDK2 (0.39) PDK2PTPN5CHEK1PRF1USP2
SCHEMBL22761153 0.94 PDK2 (0.39) PDK2PTPN5CHEK1PRF1USP2
SCHEMBL22761242 0.93 PDK2 (0.39) PDK2PTPN5CHEK1PRF1USP2
SCHEMBL22760858 0.93 PDK2 (0.37) PDK2PTPN5PRF1USP2ALDH1A1
SCHEMBL22761027 0.93 CLK4 (0.45) PDK2PTPN5USP2ALDH1A1CYP1A2
SCHEMBL22761135 0.92 CETP (0.38) PDK2PTPN5CHEK1PRF1USP2

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 PDK2 2517/4885PTPN5 4550/4885CHEK1 1834/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PDK2 2517/4885PTPN5 4550/4885CHEK1 1834/4885

“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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