SCHEMBL21735957

SCHEMBL21735957

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3sc4ccccc4c23)c2oc3ccccc3c2n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRDT Q58F21 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL23983815 0.89 BRDT (0.32) BRDTNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL21735958 0.89 PRKDC (0.35) BRDTNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23026764 0.89 BRDT (0.31) BRDT
SCHEMBL21736480 0.88 PIM1 (0.34) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL21736085 0.86 PIM1 (0.35) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL21735962 0.86 BRDT (0.32) BRDT
SCHEMBL21736208 0.85 ALOX5 (0.37) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL18961971 0.85 NPC1 (0.30) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL18962067 0.85 CREBBP (0.32) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20669826 0.85 PIM1 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 BRDT 3267/4885NPC1 1021/4885CYP1A2 20/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 BRDT 3267/4885NPC1 1021/4885CYP1A2 20/4885

“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.