SCHEMBL17994646

SCHEMBL17994646

CCc1nc2cccc3c2n1-c1cc(-c2ccc4cc(-c5ccc6ccccc6c5)ccc4c2)ccc1O3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
AKT1 P31749 1/20 0.33
CYP2A6 P11509 1/20 0.33
AHR P35869 1/20 0.33
UTRN P46939 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE4B Q07343 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL17994629 0.99 CYP1A2 (0.34) CYP1A2PDE10AMAPK8MAPK9MAPK10
SCHEMBL17994645 0.98 CYP1A2 (0.33) CYP1A2PDE10AMAPK8MAPK9MAPK10
SCHEMBL17994627 0.94
SCHEMBL17994593 0.93 L3MBTL1 (0.34) CYP1A2PDE10AAKT1AHRUTRN
SCHEMBL17994622 0.91 PIK3CD (0.32) CYP1A2PDE10APIK3CDPIK3CAMTOR
SCHEMBL17994478 0.91 CYP1A2 (0.34) CYP1A2PDE10AMAPK8MAPK9MAPK10
SCHEMBL17994637 0.91 GAA (0.37) L3MBTL1
SCHEMBL17994626 0.90 PIK3CD (0.32) PIK3CDPIK3CAMTORALDH1A1L3MBTL1
SCHEMBL17994449 0.90 CYP1A2 (0.34) CYP1A2PDE10AMAPK8MAPK9MAPK10
SCHEMBL17994477 0.89 CYP1A2 (0.33) CYP1A2PDE10AMAPK8MAPK9MAPK10

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-10263193-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2019-04-16 US disclosed
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 US disclosed
US-20160233431-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 (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-10263193-B2 Heterocyclic compound and organic light-emitting element using same CRY1, NFE2L2, CRY2 CYP1A2 99/4885PDE10A 3622/4885MAPK8 2127/4885
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 CYP1A2 105/4885PDE10A 3550/4885MAPK8 2456/4885

“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.