SCHEMBL278682

SCHEMBL278682

N#CC1(c2cn(Cc3ccccc3)c3ccccc23)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MGAM O43451 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ SI P14410 2/20 0.51
▸ MGAM2 Q2M2H8 2/20 0.51
▸ SNCA P37840 3/20 0.48
▸ APP P05067 3/20 0.45
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CHRNB2 P17787 1/20 0.42

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
SCHEMBL273765 0.97 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL6705855 0.89 HTR6 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL14595569 0.77 MGAM (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL5645456 0.73 IMPDH2 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MGAM
SCHEMBL27957392 0.71 ALDH1A1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL5622616 0.70 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL2036174 0.70 IMPDH2 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MGAM
SCHEMBL274052 0.69 KMT2A (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL28628922 0.68 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL27874567 0.68 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 — — US disclosed
US-8466143-B2 Azepine derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-06-18 — — US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 — — US disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 — — US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 — — US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 — — US disclosed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 — — US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 — — US disclosed
US-20070015746-A1 Azepine derivaties as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. (US) 2007-01-18 — — 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 (4 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-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C MEN1 2447/4885KMT2A 4330/4885SMN1; SMN2 2899/4885
US-20070015746-A1 Azepine derivaties as pharmaceutical agents HTR5A, TACR2, TACR1 MEN1 2403/4885KMT2A 3460/4885SMN1; SMN2 2388/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR MEN1 2235/4885KMT2A 4638/4885SMN1; SMN2 2596/4885
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 MEN1 1728/4885KMT2A 4612/4885SMN1; SMN2 4828/4885

“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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