SCHEMBL21758690

SCHEMBL21758690

N#Cc1ccc(-c2ccncc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.35
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
FLT3 P36888 2/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP17A1 P05093 1/20 0.33
PTGER4 P35408 1/20 0.33
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31

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
SCHEMBL21758733 0.94 GPBAR1 (0.35) GPBAR1CYP3A4CYP3A5CYP11B1CYP11B2
SCHEMBL21758701 0.94 GPBAR1 (0.34) GPBAR1CYP3A4CYP3A5FLT3CYP11B1
SCHEMBL20849008 0.90 RXRA (0.36) PTGER4RXRARXRG
SCHEMBL23255600 0.90 KIF11 (0.39) GPBAR1CYP3A4CYP3A5CYP11B2PTGER4
SCHEMBL23255598 0.89 GPBAR1 (0.35) GPBAR1CYP3A4CYP3A5CYP1A2METAP2
SCHEMBL20849591 0.88 KIF11 (0.40) PTGER4RXRARXRG
SCHEMBL21758698 0.88 CYP11B2 (0.36) FLT3CYP11B1CYP11B2CYP17A1PTGER4
SCHEMBL20849572 0.88 RXRA (0.35) PTGER4RXRARXRG
SCHEMBL21758694 0.88 CYP3A4 (0.35) GPBAR1CYP3A4CYP3A5CYP11B1CYP11B2
SCHEMBL20848924 0.88 RXRA (0.36) PTGER4RXRARXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (1 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 GPBAR1 1502/4885CYP3A4 1908/4885CYP3A5 2515/4885

“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.