SCHEMBL19977971

SCHEMBL19977971

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
USP2 O75604 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
SCHEMBL20347851 0.91 ADAMTS5 (0.33) ADAMTS5ADORA2AADORA1MEN1KMT2A
SCHEMBL29892647 0.91 ADAMTS5 (0.33) ADAMTS5ADORA2AADORA1MEN1KMT2A
SCHEMBL21677744 0.91 PDE6D (0.32) ADORA2AADORA1
SCHEMBL20347845 0.90 ADAMTS5 (0.33) ADAMTS5ADORA2AADORA1MEN1KMT2A
SCHEMBL21702809 0.90 ADAMTS5 (0.33) ADAMTS5ADORA2AADORA1MEN1KMT2A
SCHEMBL21677857 0.88 ADORA2A (0.32) ADORA2AADORA1
SCHEMBL15030761 0.87 MEN1 (0.34) ADAMTS5ADORA2AADORA1MEN1KMT2A
SCHEMBL22065507 0.87 MEN1 (0.41) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL15030880 0.86 MEN1 (0.35) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL20287428 0.85 ADORA2A (0.34) ADAMTS5ADORA2AADORA1MEN1KMT2A

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-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 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-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 ADAMTS5 4729/4885ADORA2A 3665/4885ADORA1 2504/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG ADAMTS5 4198/4885ADORA2A 3440/4885ADORA1 3848/4885

“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.