SCHEMBL844458

SCHEMBL844458

[C-]#[N+]c1ccc(-c2cnn3c(C4(c5ccc(OC)cc5)CC4)nnc3n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.34
SMN1; SMN2 Q16637 7/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 5/20 0.33
MAPT P10636 5/20 0.33
GAA P10253 4/20 0.33
LMNA P02545 3/20 0.33
GLA P06280 3/20 0.33
CSNK2A1 P68400 2/20 0.32
NPC1 O15118 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
WDR5 P61964 1/20 0.32
HSD11B1 P28845 2/20 0.32
BACE1 P56817 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
COMT P21964 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
SCHEMBL835811 0.92 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL837514 0.87 HSD11B2 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL838255 0.87 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL835971 0.87 HSD11B1 (0.42) HSD11B1
SCHEMBL837504 0.87 HSD11B1 (0.43) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL835208 0.87 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL837148 0.86 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL835760 0.85 CSNK2A1 (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL844648 0.84 MET (0.45) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL837811 0.83 CHEK1 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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 KDM4E 857/4885SMN1; SMN2 4495/4885ALDH1A1 2912/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET KDM4E 857/4885SMN1; SMN2 4495/4885ALDH1A1 2912/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET KDM4E 857/4885SMN1; SMN2 4495/4885ALDH1A1 2912/4885

“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.