SCHEMBL17994292

SCHEMBL17994292

CC(C)(C)c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MMP2 P08253 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL11962224 0.91 LMNA (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL19763007 0.91 TOP1 (0.43) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL14278945 0.90 LMNA (0.53) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17521997 0.90 KIF11 (0.44) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL16026716 0.88 KDM4E (0.42) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL11962238 0.87 CCR1 (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL10032364 0.87 KIF11 (0.47) KDM4ELMNAMAPTTSHRSMN1; SMN2
SCHEMBL599374 0.87 LMNA (0.67) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL30112535 0.86 CCR1 (0.48) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9890959 0.86 LMNA (0.48) CCR1CCR5CCR8KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10734590-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2020-08-04 US disclosed
US-20190237681-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2019-08-01 US disclosed
US-10326082-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2019-06-18 US disclosed
US-10263193-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2019-04-16 US disclosed
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2018-07-24 US disclosed
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2018-07-24 US disclosed
US-20160240793-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-18 US disclosed
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 US disclosed
US-20160233432-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 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 (8 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-10263193-B2 Heterocyclic compound and organic light-emitting element using same CRY1, NFE2L2, CRY2 CCR1 4705/4885CCR5 4394/4885CCR8 4101/4885
US-10326082-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 CCR1 3949/4885CCR5 3565/4885CCR8 2152/4885
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 CCR1 3949/4885CCR5 3565/4885CCR8 2152/4885
US-10734590-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 CCR1 3949/4885CCR5 3565/4885CCR8 2152/4885
US-20190237681-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 CCR1 3949/4885CCR5 3565/4885CCR8 2152/4885
US-20160240793-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 CCR1 3949/4885CCR5 3565/4885CCR8 2152/4885
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 CCR1 3949/4885CCR5 3565/4885CCR8 2152/4885
US-20160233432-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 CCR1 3949/4885CCR5 3565/4885CCR8 2152/4885

“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.