SCHEMBL20848615

SCHEMBL20848615

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cccc(C#N)c2-c2c(-c3c(C(F)(F)F)cccc3C(F)(F)F)cccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.38
PDK2 Q15119 1/20 0.38
MAT2A P31153 1/20 0.35
PGR P06401 2/20 0.35
PTPN5 P54829 1/20 0.35
ENPP1 P22413 1/20 0.34
ACP1 P24666 1/20 0.33
MCHR1 Q99705 1/20 0.33
CETP P11597 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL23219543 0.91 AR (0.36) ARPDK2PGRACP1GABRA1
SCHEMBL22985533 0.90 PDK2 (0.39) ARPDK2MAT2APGRPTPN5
SCHEMBL20849654 0.89 AR (0.38) ARPDK2PGRACP1GABRA1
SCHEMBL20849313 0.89 AR (0.36) ARPDK2MAT2APGRPTPN5
SCHEMBL20849355 0.89 AR (0.40) ARPGRGABRA1GABRG2GABRB3
SCHEMBL20849607 0.89 AR (0.51) ARPDK2PGRENPP1GABRA1
SCHEMBL20848614 0.89 AR (0.45) ARPDK2PGRPTPN5GABRA1
SCHEMBL20849477 0.88 AR (0.46) ARPGR
SCHEMBL20849343 0.88 AR (0.38) ARPDK2PGRGABRA1GABRG2
SCHEMBL20849655 0.87 AR (0.43) ARPGR

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 AR 3706/4885PDK2 1574/4885MAT2A 2519/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 AR 3706/4885PDK2 1574/4885MAT2A 2519/4885

“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.