SCHEMBL5873661

SCHEMBL5873661

CCc1c(C)c(N)nc2ccc(N)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.46
▸ TLR7 Q9NYK1 2/20 0.46
▸ NQO2 P16083 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL8708626 0.70 ESR1 (0.48) TLR8TLR7NQO2KDM4ELMNA
SCHEMBL6831346 0.69 MDM4 (0.47) NQO2KDM4ELMNAPOLBCASP6
SCHEMBL3951373 0.69 KDM4E (0.46) TLR8TLR7NQO2KDM4ELMNA
SCHEMBL1857081 0.69 ACHE (0.49) NQO2KDM4ELMNAPOLBCASP6
SCHEMBL27931468 0.69 KDM4E (0.46) TLR8TLR7NQO2KDM4ELMNA
SCHEMBL21939660 0.69 CYP1A2 (0.46) KDM4ELMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL12479363 0.69 ACHE (0.43) TLR8KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL23861660 0.67 TLR8 (0.58) TLR8TLR7NQO2KDM4ESMN1; SMN2
SCHEMBL11703072 0.67 KDM4E (0.51) TLR8NQO2KDM4ELMNAPOLB
SCHEMBL6607044 0.67 NQO2 (0.52) TLR8TLR7NQO2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 — — US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 — — US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 — — EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 — — WO 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R TLR8 3705/4885TLR7 2997/4885NQO2 2942/4885

“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.

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