SCHEMBL837600

SCHEMBL837600

O=C(O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncsc6c5)CC4)n3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.36
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
CYP11B2 P19099 1/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
FASN P49327 1/20 0.33
CRBN Q96SW2 1/20 0.33
DYRK2 Q92630 1/20 0.33
TGFBR1 P36897 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL838631 0.90 HPGD (0.38) KDM4ETDP1NPC1RAB9AHKDC1
SCHEMBL834806 0.87 MET (0.41) NPC1RAB9ADYRK1ACYP11B2TGFBR1
SCHEMBL838248 0.85 CYP11B2 (0.35) KDM4ETDP1NPC1RAB9AHKDC1
SCHEMBL836456 0.83 MET (0.48)
SCHEMBL837156 0.83 CYP11B2 (0.37) NPC1RAB9AHSD11B1WNT1GSK3B
SCHEMBL14291461 0.83 CYP11B2 (0.35) KDM4ENPC1RAB9AL3MBTL1HSD11B1
SCHEMBL837071 0.83 CYP11B2 (0.35) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL835891 0.82 CYP11B2 (0.34) KDM4ENPC1RAB9AHSD11B1WNT1
SCHEMBL834794 0.82 TAS1R3 (0.38) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL835204 0.81 DYRK2 (0.35) KDM4ETDP1RAB9AL3MBTL1HSD11B1

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 KDM4E 857/4885TDP1 2716/4885NPC1 2627/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET KDM4E 857/4885TDP1 2716/4885NPC1 2627/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET KDM4E 857/4885TDP1 2716/4885NPC1 2627/4885

“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.