SCHEMBL837605

SCHEMBL837605

COc1ccc(C2(c3nnc4ncc(-c5ccc(-c6cn[nH]c6)cc5)nn34)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.45
AKT2 P31751 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
AKT1 P31749 1/20 0.39
AKT3 Q9Y243 1/20 0.39
BMPR1B O00238 1/20 0.39
KDR P35968 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVRL1 P37023 1/20 0.39
TGFBR2 P37173 1/20 0.39
ACVR1 Q04771 1/20 0.39
BMPR2 Q13873 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
ROCK2 O75116 5/20 0.37
HSD11B1 P28845 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL835601 0.92 MET (0.51) METHSD11B1KDM4EMAPTRAB9A
SCHEMBL837667 0.91 PIK3CD (0.40) METAKT2PIK3CDPIK3R1PIK3CA
SCHEMBL836676 0.87 MET (0.60) METHSD11B1
SCHEMBL836860 0.87 MET (0.47) METHSD11B1KDM4EMAPTRAB9A
SCHEMBL837272 0.87 MET (0.47) METKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL837789 0.87 MET (0.47) METKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL837255 0.87 MET (0.47) METHSD11B1
SCHEMBL837238 0.86 MET (0.46) METPIK3CDPIK3R1KDRKDM4E
SCHEMBL836242 0.85 MET (0.44) METKDRHSD11B1KDM4EMAPT
SCHEMBL838323 0.85 MET (0.45) METKDM4EMAPTRAB9ASMN1; SMN2

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 8 patents. 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

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 MET 1/4885AKT2 229/4885PIK3CD 308/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MET 1/4885AKT2 229/4885PIK3CD 308/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MET 1/4885AKT2 229/4885PIK3CD 308/4885

“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.