SCHEMBL876299

SCHEMBL876299

COc1ccc(C2(c3nnc4nc(-c5cccc(-c6ccc(NC(=O)OC(C)(C)C)cc6)c5)cnn34)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
FYN P06241 1/20 0.37
POLB P06746 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
CHRM1 P11229 1/20 0.36
CNR1 P21554 1/20 0.36
CYP17A1 P05093 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
BRAF P15056 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 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
SCHEMBL876140 0.88 MAP4K4 (0.36) MAPTTP53FYNPOLBCTSL
SCHEMBL844278 0.83 HSD11B1 (0.37) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL14291902 0.82 KDM4E (0.35) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL837096 0.82 HSD11B1 (0.44) MAPTTP53LMNAHTTSMN1; SMN2
SCHEMBL837478 0.79 PFKFB3 (0.41) DYRK1A
SCHEMBL837595 0.79 PIK3CD (0.36) LMNASMN1; SMN2ALDH1A1GAADYRK1A
SCHEMBL837106 0.78 GABRG2 (0.40) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL836938 0.77 PSEN1 (0.38) MAPTTP53SMN1; SMN2FYNPOLB
SCHEMBL837148 0.77 SMN1; SMN2 (0.42) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL837811 0.76 CHEK1 (0.51) MAPTLMNASMN1; SMN2ALDH1A1GAA

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 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-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-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 MAPT 909/4885TP53 521/4885LMNA 4236/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MAPT 909/4885TP53 521/4885LMNA 4236/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MAPT 909/4885TP53 521/4885LMNA 4236/4885

“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.