SCHEMBL10075008

SCHEMBL10075008

N#CN=C1c2cc(-c3ccc(C(F)(F)F)c(F)c3)ccc2-c2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.55
CYP11B2 P19099 7/20 0.41
CYP11B1 P15538 5/20 0.41

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
SCHEMBL10050370 0.88 CTSS (0.41) KIF11
SCHEMBL16433972 0.87 KIF11 (0.43) KIF11CYP11B2CYP11B1
SCHEMBL10050377 0.83 GABRG2 (0.34) KIF11CYP11B2CYP11B1
SCHEMBL10050382 0.81 ESR1 (0.33) KIF11CYP11B2CYP11B1
SCHEMBL10075009 0.81 AR (0.56)
SCHEMBL10050369 0.80 KIF11 (0.47) KIF11
SCHEMBL10050372 0.79 AR (0.56)
SCHEMBL10050376 0.79 RXRA (0.38) KIF11CYP11B2CYP11B1
SCHEMBL10050371 0.78 EDNRB (0.42) KIF11
SCHEMBL10075005 0.78 FEN1 (0.44) KIF11

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 KIF11 2450/4885CYP11B2 3422/4885CYP11B1 3162/4885

“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.