SCHEMBL21085498

SCHEMBL21085498

CC(C)(C)Cc1ccc2c3ccccc3n(-c3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK8 P45983 2/20 0.40
CCR4 P51679 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PLA2G2A P14555 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL24450376 0.80 CCR4 (0.36) KDM4EATML3MBTL1CCR4ALDH1A1
SCHEMBL18941667 0.76 L3MBTL1 (0.55) KDM4EATML3MBTL1MAPK8ALDH1A1
SCHEMBL22100019 0.76 MAT2A (0.55) KDM4EATML3MBTL1MAPK8ALDH1A1
SCHEMBL21085499 0.74 KDM4E (0.49) KDM4EATML3MBTL1MAPK8PDE7A
SCHEMBL18546821 0.73 KDM4E (0.55) KDM4EATML3MBTL1MAPK8MAPK9
SCHEMBL22986683 0.72 KDM4E (0.55) KDM4EATML3MBTL1MAPK8ALDH1A1
SCHEMBL9968152 0.72 MAPK8 (0.35) KDM4EATML3MBTL1MAPK8PDE7A
SCHEMBL9968150 0.71 PLA2G4A (0.33) KDM4EL3MBTL1PDE7APDE7BALDH1A1
SCHEMBL26059488 0.71 L3MBTL1 (0.52) KDM4EATML3MBTL1MAPK8ALDH1A1
SCHEMBL9968185 0.70 L3MBTL1 (0.34) KDM4EATML3MBTL1CCR4PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2019-06-06 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-10580998-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 KDM4E 2743/4885ATM 2136/4885L3MBTL1 2519/4885
US-20190173022-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 KDM4E 2743/4885ATM 2136/4885L3MBTL1 2519/4885

“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.