SCHEMBL6112450

SCHEMBL6112450

CCCCCn1ccc2nc3ccccc3nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C9 P11712 1/20 0.48
CRHBP P24387 1/20 0.48
CYP2C19 P33261 1/20 0.48
CRHR2 Q13324 1/20 0.48
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
GAA P10253 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
GLA P06280 2/20 0.45
POLB P06746 2/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
TLR8 Q9NR97 5/20 0.44

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
SCHEMBL18805376 0.83 TLR8 (0.41) MEN1CYP1A2KMT2ACYP2C9CRHBP
SCHEMBL7111137 0.75 ALDH1A1 (0.48) MEN1CYP1A2KMT2ACYP2C9CRHBP
SCHEMBL327116 0.71 MTNR1A (0.56) KMT2AALDH1A1POLBTLR8CNR2
SCHEMBL4554026 0.69 CDK4 (0.81) TLR8LMNAMAPK1
SCHEMBL30495581 0.69 CDK4 (0.81) TLR8LMNAMAPK1
SCHEMBL7541745 0.69 TLR7 (0.47) KDM4ETLR8SLC9A1LMNAGLO1
SCHEMBL30376 0.68 CDK4 (0.82) TLR8LMNAMAPK1
SCHEMBL31454116 0.68 CDK4 (0.82) TLR8LMNAMAPK1
SCHEMBL4976386 0.68 CDK4 (0.82) TLR8LMNAMAPK1
SCHEMBL19748097 0.68 CDK4 (0.82) TLR8LMNAMAPK1

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-7101537-B2 Tricyclic quinoxaline and quinoline derivatives as a UV filter MERCK PATENTGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter MERCK PATENT GMBH (DE) 2004-05-27 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 (1 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-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter CUTA, CYP1B1, TPH1 MEN1 683/4885CYP1A2 29/4885KMT2A 2614/4885

“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.