SCHEMBL6170719

SCHEMBL6170719

CCCN1C(=O)COc2ccc(-c3nn[nH]c3-c3cccc(C)n3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
HTR1A P08908 8/20 0.45
HTR1D P28221 8/20 0.45
HTR1B P28222 8/20 0.45
CYP2C9 P11712 5/20 0.45
REN P00797 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 3/20 0.40
SLC6A4 P31645 1/20 0.40
BRD4 O60885 3/20 0.39
TGFBR1 P36897 3/20 0.38
MAPK14 Q16539 2/20 0.38
RIPK2 O43353 1/20 0.38
ACVR1B P36896 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL6169255 0.93 HTT (0.48) HTTHTR1AHTR1DHTR1BCYP2C9
SCHEMBL6168653 0.91 HTT (0.47) HTTHTR1AHTR1DHTR1BCYP2C9
SCHEMBL6428691 0.91 HTT (0.47) HTTHTR1AHTR1DHTR1BCYP2C9
SCHEMBL6399075 0.91 HTT (0.47) HTTHTR1AHTR1DHTR1BCYP2C9
SCHEMBL6168702 0.89 HTT (0.45) HTTHTR1AHTR1DHTR1BCYP2C9
SCHEMBL6169245 0.88 PDE3B (0.46) HTTHTR1AHTR1DHTR1BSLC6A4
SCHEMBL6175922 0.82 TGFBR1 (0.39) HTTHTR1AHTR1DHTR1BSLC6A4
SCHEMBL6169745 0.79 TGFBR1 (0.43) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6168797 0.78 TGFBR1 (0.41) RENTGFBR1MAPK14RIPK2ACVR1B
SCHEMBL6168732 0.76 KMT2A (0.51)

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-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US claimed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP claimed
WO-2003097639-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 WO claimed
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US disclosed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP disclosed
WO-2003097639-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 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-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles ACVR1, TGFBR1, SMAD3 HTT 2793/4885HTR1A 1825/4885HTR1D 1834/4885

“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.