SCHEMBL21716775

SCHEMBL21716775

c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6ccc(-n7c8ccccc8c8c(-n9c%10ccccc%10c%10ccccc%109)c9ccccc9cc87)cc6c5)nc5ccccc45)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
PTGER4 P35408 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
HPGD P15428 1/20 0.30
PTGES O14684 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
SCHEMBL21716772 0.87 ATM (0.37) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21716782 0.86 AURKA (0.34) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21716380 0.86 AURKA (0.33) ATMKDM4EL3MBTL1AURKAAURKB
SCHEMBL18213941 0.86 ATM (0.40) ATMPTGER4MEN1KMT2AKDM4E
SCHEMBL21717606 0.85 ATM (0.33) ATMPTGER4MEN1KMT2AKDM4E
SCHEMBL21716820 0.85 PTGER4 (0.31) ATMPTGER4MEN1KMT2AKDM4E
SCHEMBL21213730 0.85 ATM (0.34) ATMPTGER4MEN1KMT2AKDM4E
SCHEMBL22883662 0.84 KDM4E (0.34) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21717334 0.84 ATM (0.38) ATMPTGER4MEN1KMT2AKDM4E
SCHEMBL21717314 0.83 AURKA (0.39) ATMPTGER4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 ATM 3428/4885PTGER4 1167/4885MEN1 200/4885

“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.