SCHEMBL835308

SCHEMBL835308

COc1ccc(C2(c3nnc4ncc(-c5ccc(C(=O)NC6CCOCC6)cc5)nn34)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.44
HSD11B1 P28845 2/20 0.42
TTK P33981 5/20 0.41
ATR Q13535 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GABRA1 P14867 1/20 0.38
PAK1 Q13153 1/20 0.37
CNR2 P34972 2/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
MET P08581 1/20 0.37
HTT P42858 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
SCHEMBL837528 0.94 HSD11B1 (0.47) HPGDSHSD11B1TTKPAK1POLB
SCHEMBL836247 0.91 HSD11B1 (0.45) HPGDSHSD11B1TTKEGLN1PAK1
SCHEMBL838247 0.91 HSD11B1 (0.45) HPGDSHSD11B1TTKEGLN1PAK1
SCHEMBL838827 0.86 ALDH1A1 (0.50) HSD11B1ALDH1A1TP53
SCHEMBL837728 0.83 CHEK1 (0.46) HSD11B1EGLN1ALDH1A1POLBMET
SCHEMBL835601 0.82 MET (0.51) HSD11B1ALDH1A1LMNAMET
SCHEMBL3984239 0.82 HPGDS (0.43) HPGDSHSD11B1TTKEGLN1ALDH1A1
SCHEMBL836278 0.81 BTK (0.40) PAK1
SCHEMBL14291721 0.80 MET (0.45) HSD11B1ALDH1A1LMNAMET
SCHEMBL838010 0.80 KMT2A (0.46) ALDH1A1MET

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 29 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
EP-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP claimed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO 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
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 HPGDS 3577/4885HSD11B1 3686/4885TTK 44/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET HPGDS 3577/4885HSD11B1 3686/4885TTK 44/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET HPGDS 3577/4885HSD11B1 3686/4885TTK 44/4885

“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.