SCHEMBL905015

SCHEMBL905015

Brc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12061273 1.00 PDK2 (0.38) PDK2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL18090331 0.97 PDK2 (0.38) PDK2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL12469468 0.95 PDK2 (0.36) PDK2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL905084 0.93 PDK2 (0.37) PDK2
SCHEMBL905045 0.93 PDK2 (0.37) PDK2
SCHEMBL904405 0.93 KDM4E (0.37) PDK2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL12003630 0.93 KDM4E (0.37) PDK2KDM4EMAPTALDH1A1CYP1A2
SCHEMBL10053381 0.92 PDK2 (0.34) PDK2
SCHEMBL12469759 0.92 PDK2 (0.36) PDK2
SCHEMBL18164858 0.92 PDK2 (0.34) PDK2

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 6 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
US-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-03-15 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-2016148425-A2 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS FOR SAME 덕산네오룩스 주식회사 2016-09-22 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
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 (2 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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 PDK2 2263/4885KDM4E 1027/4885MAPT 2943/4885
US-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 PDK2 2263/4885KDM4E 1027/4885MAPT 2943/4885

“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.