SCHEMBL836242

SCHEMBL836242

COc1ccc(C2(c3nnc4ncc(-c5ccc(-c6cnn(C)c6)cc5)nn34)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.44
HSD11B1 P28845 2/20 0.41
FYN P06241 1/20 0.38
MAPK8 P45983 1/20 0.37
ALOX5AP P20292 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CLK1 P49759 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PFKFB3 Q16875 1/20 0.35
LRRK2 Q5S007 2/20 0.35
ADAM17 P78536 1/20 0.35
KDR P35968 2/20 0.34
EPHB4 P54760 2/20 0.34
TEK Q02763 1/20 0.34

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 0.91 MET (0.51) METHSD11B1KDM4EMAPTRAB9A
SCHEMBL836950 0.91 MET (0.39) METHSD11B1FYNMAPK8CCNA2
SCHEMBL836860 0.86 MET (0.47) METHSD11B1FYNKDM4EMAPT
SCHEMBL836676 0.86 MET (0.60) METHSD11B1FYN
SCHEMBL837255 0.86 MET (0.47) METHSD11B1
SCHEMBL837789 0.86 MET (0.47) METKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL837272 0.86 MET (0.47) METKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL837238 0.86 MET (0.46) METKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL837605 0.85 MET (0.45) METHSD11B1ALOX5APKDM4EMAPT
SCHEMBL838323 0.84 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 1/4885HSD11B1 3686/4885FYN 482/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MET 1/4885HSD11B1 3686/4885FYN 482/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MET 1/4885HSD11B1 3686/4885FYN 482/4885

“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.