Sugi Predict

Sugi Predict / Compounds / SCHEMBL835204

SCHEMBL835204

SCHEMBL835204

CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncsc6c5)CC4)n3n2)cc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK2 Q92630 5/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ NTRK1 P04629 3/20 0.33
▸ NTRK2 Q16620 3/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL838248 0.92 CYP11B2 (0.35) DYRK2CYP11B2TAS1R3TAS1R1NTRK1
SCHEMBL14291461 0.91 CYP11B2 (0.35) DYRK2CYP11B2TAS1R3TAS1R1NTRK1
SCHEMBL835891 0.90 CYP11B2 (0.34) DYRK2CYP11B2TAS1R3TAS1R1NTRK1
SCHEMBL836684 0.87 MET (0.42) TAS1R3TAS1R1MET
SCHEMBL837071 0.86 CYP11B2 (0.35) DYRK2CYP11B2TAS1R3TAS1R1NTRK1
SCHEMBL837156 0.84 CYP11B2 (0.37) DYRK2CYP11B2TAS1R3TAS1R1NTRK1
SCHEMBL838631 0.83 HPGD (0.38) DYRK2CYP11B2NTRK1NTRK2WNT1
SCHEMBL834794 0.81 TAS1R3 (0.38) DYRK2CYP11B2TAS1R3TAS1R1NTRK1
SCHEMBL837600 0.81 KDM4E (0.44) DYRK2CYP11B2WNT1GSK3BDYRK1A
SCHEMBL12593026 0.78 MET (0.40) TAS1R3TAS1R1MET

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 DYRK2 356/4885CYP11B2 2857/4885TAS1R3 1984/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET DYRK2 356/4885CYP11B2 2857/4885TAS1R3 1984/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET DYRK2 356/4885CYP11B2 2857/4885TAS1R3 1984/4885

“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.