SCHEMBL905062

SCHEMBL905062

Cc1ccc(N(c2ccccc2)c2cc(Br)cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 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
SCHEMBL905084 0.94 PDK2 (0.37) PDK2ESR1ESR2
SCHEMBL904405 0.94 KDM4E (0.37) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL12003630 0.94 KDM4E (0.37) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL18090361 0.93 KDM4E (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL18052476 0.90 ESR1 (0.41) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL16996126 0.90 ESR1 (0.41) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL905053 0.89 PDK2 (0.34) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL12469365 0.89 PDK2 (0.34) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL17804606 0.89 ESR1 (0.43) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL16996422 0.89 ESR1 (0.40) PDK2ESR1ESR2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 US disclosed
WO-2016167491-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS 덕산네오룩스 주식회사 2016-10-20 WO disclosed
WO-2012043996-A2 COMPOUND IN WHICH AMINE DERIVATIVE IS SUBSTITUTED WITH FLUORENE, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL THEREOF 덕산하이메탈(주) (KR) 2012-04-05 WO 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-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 PDK2 2263/4885ESR1 27/4885ESR2 173/4885

“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.