SCHEMBL20849040

SCHEMBL20849040

N#Cc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACP1 P24666 1/20 0.33
AR P10275 2/20 0.31
PGR P06401 1/20 0.31
PDPK1 O15530 1/20 0.30
KIF11 P52732 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL20848994 0.97 ACP1 (0.33) KDM4EATML3MBTL1ACP1AR
SCHEMBL20848608 0.96 KDM4E (0.35) KDM4EATML3MBTL1ACP1AR
SCHEMBL20849192 0.96 KDM4E (0.35) KDM4EATML3MBTL1ACP1AR
SCHEMBL20849372 0.92 AR (0.34) ACP1ARPGRPDPK1KIF11
SCHEMBL20849371 0.92 PDPK1 (0.33) ACP1ARPDPK1KIF11
SCHEMBL20849373 0.92 PDPK1 (0.33) ACP1ARPDPK1KIF11
SCHEMBL22985601 0.91 KDM4E (0.35) KDM4EATML3MBTL1ACP1AR
SCHEMBL20849194 0.91 KIF11 (0.36) ACP1ARKIF11GABRA1GABRG2
SCHEMBL20848469 0.90 KIF11 (0.39) ACP1ARPDPK1KIF11
SCHEMBL20849124 0.89 KIF11 (0.34) ACP1ARKIF11

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 KDM4E 1952/4885ATM 3746/4885L3MBTL1 2213/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KDM4E 1952/4885ATM 3746/4885L3MBTL1 2213/4885

“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.