SCHEMBL3585572

SCHEMBL3585572

COC(=O)C(C)c1ccc2ncsc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.48
NTRK2 Q16620 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HKDC1 Q2TB90 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DYRK3 O43781 5/20 0.47
CLK1 P49759 5/20 0.47
CLK2 P49760 5/20 0.47
CLK3 P49761 5/20 0.47
GSK3B P49841 5/20 0.47
DYRK1A Q13627 5/20 0.47
DYRK2 Q92630 5/20 0.47
CLK4 Q9HAZ1 5/20 0.47
DYRK4 Q9NR20 5/20 0.47
DYRK1B Q9Y463 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL418266 0.84 NPC1 (0.55) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL27910402 0.82 NPC1 (0.50) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL12600125 0.77 RAB9A (0.47) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL4713744 0.77 NPC1 (0.49) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL277372 0.76 NPC1 (0.50) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL19926163 0.76 OGA (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL24347730 0.73 NPC1 (0.45) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL21123817 0.73 NPC1 (0.45) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL2175917 0.73 DYRK1A (0.46) NTRK1NTRK2NPC1RAB9AKDM4E
SCHEMBL17541595 0.73 NPC1 (0.45) NTRK1NTRK2NPC1RAB9AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO 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 (1 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 NTRK1 1131/4885NTRK2 1742/4885NPC1 2777/4885

“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.