SCHEMBL834794

SCHEMBL834794

CC[C@H](NC(=O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncsc6c5)CC4)n3n2)cc1)C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CYP11B2 P19099 1/20 0.36
TGFBR1 P36897 3/20 0.34
HSD11B1 P28845 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK2 Q92630 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL837156 0.90 CYP11B2 (0.37) TAS1R3TAS1R1CYP11B2TGFBR1HSD11B1
SCHEMBL835891 0.89 CYP11B2 (0.34) TAS1R3TAS1R1CYP11B2TGFBR1HSD11B1
SCHEMBL838248 0.83 CYP11B2 (0.35) TAS1R3TAS1R1CYP11B2TGFBR1HSD11B1
SCHEMBL14291461 0.83 CYP11B2 (0.35) TAS1R3TAS1R1CYP11B2TGFBR1HSD11B1
SCHEMBL837071 0.82 CYP11B2 (0.35) TAS1R3TAS1R1CYP11B2TGFBR1WNT1
SCHEMBL838631 0.82 HPGD (0.38) CYP11B2TGFBR1WNT1GSK3BDYRK1A
SCHEMBL837600 0.82 KDM4E (0.44) CYP11B2TGFBR1HSD11B1WNT1GSK3B
SCHEMBL835204 0.81 DYRK2 (0.35) TAS1R3TAS1R1CYP11B2TGFBR1HSD11B1
SCHEMBL834806 0.76 MET (0.41) CYP11B2TGFBR1DYRK1ANPC1RAB9A
SCHEMBL836370 0.76 MET (0.43)

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US claimed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 US claimed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 US claimed
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2010-05-27 US claimed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US claimed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US claimed
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 US disclosed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US disclosed
EP-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 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 (3 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-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET TAS1R3 1984/4885TAS1R1 2043/4885CYP11B2 2857/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET TAS1R3 1984/4885TAS1R1 2043/4885CYP11B2 2857/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET TAS1R3 1984/4885TAS1R1 2043/4885CYP11B2 2857/4885

“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.