SCHEMBL844648

SCHEMBL844648

[C-]#[N+]c1ccc(-c2cnc3nnc(C4(c5ccc(OC)cc5)CC4)n3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.45
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 6/20 0.32
NPC1 O15118 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
STAT1 P42224 1/20 0.32
FYN P06241 1/20 0.32
HPGD P15428 4/20 0.32
HSD11B1 P28845 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL835601 0.92 MET (0.51) METRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL837789 0.87 MET (0.47) METRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL837272 0.87 MET (0.47) METRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL836860 0.87 MET (0.47) METRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL836676 0.87 MET (0.60) METFYNHSD11B1
SCHEMBL837255 0.87 MET (0.47) METHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL837238 0.86 MET (0.46) METRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL838323 0.85 MET (0.45) METRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL837605 0.84 MET (0.45) METRAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL14291721 0.84 MET (0.45) METRAB9ASMN1; SMN2KDM4EMAPT

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-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-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 US disclosed
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2010-05-27 US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 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 MET 1/4885RAB9A 3718/4885SMN1; SMN2 4495/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MET 1/4885RAB9A 3718/4885SMN1; SMN2 4495/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MET 1/4885RAB9A 3718/4885SMN1; SMN2 4495/4885

“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.