SCHEMBL20849558

SCHEMBL20849558

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
AR P10275 6/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
PDK2 Q15119 1/20 0.32
PGR P06401 1/20 0.31
TACR1 P25103 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM1A O60341 1/20 0.31
RORC P51449 1/20 0.30
PTPN5 P54829 1/20 0.30
CYP2C9 P11712 1/20 0.30
SCN9A Q15858 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL20849557 0.97 KIF11 (0.37) KIF11AREDNRBEDNRAPDK2
SCHEMBL22985627 0.96 AR (0.35) KIF11AREDNRBEDNRAPGR
SCHEMBL20849115 0.95 AR (0.35) AREDNRBEDNRAPGRCYP2C9
SCHEMBL20849111 0.95 AR (0.35) KIF11AREDNRBEDNRAPGR
SCHEMBL20848739 0.95 AR (0.38) KIF11AREDNRBEDNRAPGR
SCHEMBL20849556 0.94 AR (0.34) AREDNRBEDNRAPGRALOX5AP
SCHEMBL20849518 0.94 AR (0.34) AREDNRBEDNRAPGR
SCHEMBL20848503 0.94 PTPN5 (0.35) AREDNRBEDNRAPDK2PGR
SCHEMBL22985281 0.94 AR (0.36) KIF11ARPDK2PGRRORC
SCHEMBL22985670 0.93 ALOX5AP (0.36) KIF11PDK2TACR1DGAT1SOAT1

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 KIF11 419/4885AR 3706/4885EDNRB 1908/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885AR 3706/4885EDNRB 1908/4885

“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.