SCHEMBL21399481

SCHEMBL21399481

N#Cc1ccc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2ccc(C(F)(F)F)cc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.37
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNMA1 Q12791 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP3 P42574 1/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 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
SCHEMBL21399484 0.97 KIF11 (0.40) KIF11PTGDR2TSHRMEN1CYP1A2
SCHEMBL21399482 0.95 KIF11 (0.40) KIF11PTGDR2TSHRMEN1CYP1A2
SCHEMBL21399479 0.94 KIF11 (0.39) KIF11PTGDR2TSHRMEN1CYP1A2
SCHEMBL21399268 0.93 KIF11 (0.36) KIF11PTGDR2TSHRMEN1CYP1A2
SCHEMBL21399478 0.92 KIF11 (0.40) KIF11PTGDR2TSHRMEN1CYP1A2
SCHEMBL21399685 0.92 PTGDR2 (0.38) KIF11PTGDR2TSHRHSP90AA1SMN1; SMN2
SCHEMBL21399485 0.92 KIF11 (0.48) KIF11PTGDR2DGAT1SOAT1KCNH2
SCHEMBL21399483 0.92 KIF11 (0.39) KIF11PTGDR2HSP90AA1PSEN1PSEN2
SCHEMBL21399688 0.91 KIF11 (0.41) KIF11PTGDR2TSHRHSP90AA1SMN1; SMN2
SCHEMBL21399447 0.90 KIF11 (0.40) KIF11PTGDR2DGAT1SOAT1KCNH2

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 KIF11 4281/4885PTGDR2 1288/4885TSHR 260/4885

“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.