SCHEMBL838248

SCHEMBL838248

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TGFBR1 P36897 2/20 0.33
DYRK2 Q92630 4/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HKDC1 Q2TB90 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32

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
SCHEMBL14291461 0.93 CYP11B2 (0.35) CYP11B2TAS1R3TAS1R1WNT1GSK3B
SCHEMBL837071 0.93 CYP11B2 (0.35) CYP11B2TAS1R3TAS1R1WNT1GSK3B
SCHEMBL835891 0.92 CYP11B2 (0.34) CYP11B2TAS1R3TAS1R1WNT1GSK3B
SCHEMBL835204 0.92 DYRK2 (0.35) CYP11B2TAS1R3TAS1R1WNT1GSK3B
SCHEMBL837390 0.86 MET (0.43)
SCHEMBL837156 0.86 CYP11B2 (0.37) CYP11B2TAS1R3TAS1R1WNT1GSK3B
SCHEMBL837600 0.85 KDM4E (0.44) CYP11B2WNT1GSK3BDYRK1ANPC1
SCHEMBL838631 0.84 HPGD (0.38) CYP11B2WNT1GSK3BDYRK1ANPC1
SCHEMBL834794 0.83 TAS1R3 (0.38) CYP11B2TAS1R3TAS1R1WNT1GSK3B
SCHEMBL836685 0.80 MET (0.41)

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-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
EP-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO 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 CYP11B2 2857/4885TAS1R3 1984/4885TAS1R1 2043/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CYP11B2 2857/4885TAS1R3 1984/4885TAS1R1 2043/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CYP11B2 2857/4885TAS1R3 1984/4885TAS1R1 2043/4885

“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.