SCHEMBL19862731

SCHEMBL19862731

c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc45)nc3)cc(-c3ccccn3)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
CNR2 P34972 1/20 0.34
HPGDS O60760 1/20 0.33
CHEK2 O96017 1/20 0.33
KDR P35968 1/20 0.33
FEN1 P39748 4/20 0.32
ALOX5AP P20292 3/20 0.32
DHODH Q02127 1/20 0.32
PIM1 P11309 2/20 0.32
CYP2A6 P11509 1/20 0.32
NPY5R Q15761 1/20 0.32
WNT3A P56704 3/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL19862729 0.93 PDK2 (0.41) PDK2CNR2HPGDSCHEK2KDR
SCHEMBL19862722 0.90 PDK2 (0.48) PDK2CNR2DHODHCYP2A6NPY5R
SCHEMBL19862727 0.89 PDK2 (0.43) PDK2CNR2HPGDSCHEK2KDR
SCHEMBL15977727 0.88 PDK2 (0.47) PDK2CNR2HPGDSCHEK2KDR
SCHEMBL15977575 0.88 PDK2 (0.42) PDK2CNR2HPGDSCHEK2KDR
SCHEMBL19862732 0.88 PDK2 (0.38) PDK2FEN1ALOX5AP
SCHEMBL26161311 0.85 PDK2 (0.40) PDK2FEN1ALOX5AP
SCHEMBL19862717 0.84 PDK2 (0.44) PDK2KDRDHODHKDM4ENPC1
SCHEMBL19009470 0.84 PDK2 (0.57) PDK2CNR2HPGDSCHEK2CYP2A6
SCHEMBL18101984 0.84 PDK2 (0.50) PDK2CNR2HPGDSCHEK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263735-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2019-08-29 US disclosed
US-10347843-B2 Organic electronic material GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD. (CN) 2019-07-09 US disclosed
US-20180171218-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-06-21 US disclosed
US-20180171218-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-06-21 US disclosed
US-20180047909-A1 ORGANIC ELECTRONIC MATERIAL GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 US disclosed
US-20180047909-A1 ORGANIC ELECTRONIC MATERIAL GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 US disclosed
US-20180047910-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 US disclosed
US-20180047910-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 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 (4 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-20180047909-A1 ORGANIC ELECTRONIC MATERIAL OCIAD1, OCIAD2, EED PDK2 3037/4885CNR2 4385/4885HPGDS 4303/4885
US-20190263735-A1 ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, CTNND1 PDK2 2848/4885CNR2 4152/4885HPGDS 3735/4885
US-10347843-B2 Organic electronic material OCIAD1, OCIAD2, EED PDK2 3037/4885CNR2 4385/4885HPGDS 4303/4885
US-20180047910-A1 ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, CTNND1 PDK2 2912/4885CNR2 4081/4885HPGDS 3952/4885

“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.