SCHEMBL21399459

SCHEMBL21399459

N#Cc1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
KIF11 P52732 1/20 0.35
LMNA P02545 4/20 0.35
CYP1A2 P05177 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAT2A P31153 1/20 0.35
ABCG2 Q9UNQ0 5/20 0.34
ABCB1 P08183 2/20 0.34

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
SCHEMBL21399720 0.97 CYP1A2 (0.35) PTGDR2KIF11LMNACYP1A2MEN1
SCHEMBL20902544 0.96 PTGDR2 (0.35) PTGDR2KIF11LMNACYP1A2MEN1
SCHEMBL21399443 0.96 KIF11 (0.35) PTGDR2KIF11LMNACYP1A2MEN1
SCHEMBL22243183 0.96 ABCG2 (0.36) PTGDR2KIF11LMNACYP1A2MEN1
SCHEMBL22243124 0.94 ABCG2 (0.36) PTGDR2KIF11LMNACYP1A2MEN1
SCHEMBL20910445 0.94 KIF11 (0.35) PTGDR2KIF11LMNACYP1A2MEN1
SCHEMBL22243169 0.94 ABCG2 (0.37) PTGDR2KIF11LMNACYP1A2MEN1
SCHEMBL21399473 0.93 CYP1A2 (0.35) KIF11LMNACYP1A2MEN1ALDH1A1
SCHEMBL22243186 0.93 CYP1A2 (0.35) KIF11LMNACYP1A2MEN1ALDH1A1
SCHEMBL20910657 0.93 KIF11 (0.37) PTGDR2KIF11LMNACYP1A2MEN1

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 PTGDR2 1288/4885KIF11 4281/4885LMNA 4585/4885

“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.