SCHEMBL4085042

SCHEMBL4085042

CC(C)c1nc(N2CCCC2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.60
▸ TSHR P16473 4/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ ACP1 P24666 2/20 0.59
▸ KDM4E B2RXH2 4/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ ATM Q13315 2/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ NPY5R Q15761 1/20 0.57
▸ TLR7 Q9NYK1 1/20 0.56
▸ USP2 O75604 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 3/20 0.52

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
SCHEMBL4095705 0.98 KMT2A (0.64) KMT2AMEN1L3MBTL1TSHRHSD17B10
SCHEMBL4085081 0.88 HTR3E (0.66) KMT2AMEN1TSHRHSD17B10HPGD
SCHEMBL4084809 0.87 KDM4E (0.64) TSHRHSD17B10GLAGAAHPGD
SCHEMBL23720822 0.84 L3MBTL1 (0.50) KMT2AMEN1L3MBTL1TSHRHSD17B10
SCHEMBL4097237 0.82 MEN1 (0.56) KMT2AMEN1L3MBTL1TSHRHSD17B10
SCHEMBL23721107 0.82 MAPT (0.53) KMT2AMEN1L3MBTL1TSHRHSD17B10
SCHEMBL23721036 0.80 MAPT (0.54) KMT2AMEN1L3MBTL1TSHRHSD17B10
SCHEMBL23720790 0.79 ABCG2 (0.67) TP53MAPT
SCHEMBL13992609 0.79 MEN1 (0.94) KMT2AMEN1L3MBTL1TSHRHSD17B10
SCHEMBL31663100 0.78 KMT2A (0.97) KMT2AMEN1L3MBTL1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2018-05-03 — — US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 — — US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 — — US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 — — US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 — — WO disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 — — 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 (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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 KMT2A 1424/4885MEN1 718/4885L3MBTL1 3667/4885
US-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ATG7, ADRM1 KMT2A 938/4885MEN1 3909/4885L3MBTL1 168/4885

“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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