SCHEMBL20848894

SCHEMBL20848894

N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 4/20 0.33
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
PDK2 Q15119 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20849581 0.96 PTPN5 (0.33) PTPN5NR3C1ARGABRA1GABRG2
SCHEMBL20849006 0.96 PTPN5 (0.34) PTPN5NR3C1ARGABRA1GABRG2
SCHEMBL20848948 0.95 STS (0.35) ARPDK2ALOX5APFEN1RXRA
SCHEMBL20849107 0.95 PTPN5 (0.35) PTPN5NR3C1ARGABRA1GABRG2
SCHEMBL22984998 0.94 ALOX5AP (0.37) PTPN5ARALOX5APFEN1RXRA
SCHEMBL20849573 0.94 PTPN5 (0.35) PTPN5NR3C1ARGABRA1GABRG2
SCHEMBL20849572 0.93 RXRA (0.35) PTPN5PDK2RXRARXRGTACR1
SCHEMBL20849105 0.93 PTPN5 (0.37) PTPN5NR3C1ARGABRA1GABRG2
SCHEMBL20849577 0.92 STS (0.34) ARPDK2ALOX5APFEN1RXRA
SCHEMBL20848947 0.92 KIF11 (0.39) PTPN5PDK2RXRARXRGTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 US 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 PTPN5 4494/4885NR3C1 4771/4885AR 3706/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PTPN5 4494/4885NR3C1 4771/4885AR 3706/4885

“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.