Sugi Predict

Sugi Predict / Compounds / SCHEMBL876140

SCHEMBL876140

SCHEMBL876140

COc1ccc(C2(c3nnc4ncc(-c5cccc(-c6ccc(NC(=O)OC(C)(C)C)cc6)c5)nn34)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CYP17A1 P05093 2/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ MET P08581 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 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
SCHEMBL836938 0.90 PSEN1 (0.38) POLBTP53MAPTCYP1A2CYP3A4
SCHEMBL876299 0.88 MAPT (0.37) MAP4K4CHRM1CYP17A1POLBTP53
SCHEMBL844657 0.83 MET (0.41) MAPTCYP1A2CYP3A4METFYN
SCHEMBL836375 0.82 HSD11B1 (0.44) MAPTJAK1METOPRD1FYN
SCHEMBL837046 0.80 MET (0.48) TP53MAPTCYP1A2CYP3A4MET
SCHEMBL837667 0.79 PIK3CD (0.40) MET
SCHEMBL836950 0.78 MET (0.39) METFYN
SCHEMBL835601 0.78 MET (0.51) MAPTCYP3A4MET
SCHEMBL835960 0.78 MET (0.40) TP53MAPTMETCNR1FYN
SCHEMBL836504 0.77 MAPT (0.40) POLBTP53MAPTCYP1A2CYP3A4

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 MAP4K4 35/4885CHRM1 3536/4885CYP17A1 4066/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MAP4K4 35/4885CHRM1 3536/4885CYP17A1 4066/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET MAP4K4 35/4885CHRM1 3536/4885CYP17A1 4066/4885

“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.