SCHEMBL18564787

SCHEMBL18564787

CN(c1ccccc1)c1ccc2c(c1)c1c3ccccc3ccc1n2-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.36
ITK Q08881 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 1/20 0.33
ALOX5 P09917 1/20 0.33
REN P00797 1/20 0.32
ABCG2 Q9UNQ0 3/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
CYP1A2 P05177 2/20 0.31
CHKA P35790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 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
SCHEMBL19735337 0.96 KDM4E (0.37) PDE5AITKKDM4EATML3MBTL1
SCHEMBL18564793 0.95 TSPO (0.35) PDE5AITKKDM4EATML3MBTL1
SCHEMBL18564786 0.95 TSPO (0.35) PDE5AITKKDM4EATML3MBTL1
SCHEMBL12249661 0.94 PDE5A (0.32) PDE5AITKKDM4EATML3MBTL1
SCHEMBL12249683 0.94 PDE5A (0.32) PDE5AITKKDM4EATML3MBTL1
SCHEMBL18564695 0.93 KDM4E (0.40) PDE5AITKKDM4EATML3MBTL1
SCHEMBL18564738 0.92 ITK (0.35) PDE5AITKKDM4EATML3MBTL1
SCHEMBL18564755 0.92 KDM4E (0.37) PDE5AITKKDM4EATML3MBTL1
SCHEMBL18564682 0.92 KDM4E (0.37) PDE5AITKKDM4EATML3MBTL1
SCHEMBL19735336 0.91 L3MBTL1 (0.39) PDE5AKDM4EATML3MBTL1ALOX5

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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 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 (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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 PDE5A 3840/4885ITK 1200/4885KDM4E 225/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 PDE5A 3840/4885ITK 1200/4885KDM4E 225/4885

“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.