SCHEMBL3594229

SCHEMBL3594229

COC(=O)Cc1cc2cc(Br)cnc2cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.34
PDGFRA P16234 5/20 0.34
IDH1 O75874 5/20 0.34
RORC P51449 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
KIT P10721 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL3592686 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL21326695 0.77 HSP90AB1 (0.38) PDGFRBPDGFRAHSP90AB1MEN1MAPT
SCHEMBL3149241 0.77 ALOX15 (0.48) PDGFRBPDGFRAMEN1MAPTKMT2A
SCHEMBL3153818 0.76 NPC1 (0.45) MALT1HSP90AB1MAPTKMT2AALDH1A1
SCHEMBL3162591 0.75 TSHR (0.43) MALT1MAPTMTNR1AMTNR1BALDH1A1
SCHEMBL3149520 0.75 TSHR (0.36) HSP90AB1MEN1KMT2A
SCHEMBL23273501 0.75 HSP90AB1 (0.38) HSP90AB1MEN1MAPTKMT2AALDH1A1
SCHEMBL29737883 0.75 HSP90AB1 (0.38) HSP90AB1MEN1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL31147900 0.73 HSP90AB1 (0.37) HSP90AB1MEN1MAPTKMT2AALDH1A1
SCHEMBL3234849 0.73 PDGFRB (0.37) PDGFRBPDGFRAMALT1KITMAPT

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
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
CN-101558070-A Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS INC (US) 2009-10-14 CN 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 PDGFRB 1277/4885PDGFRA 1447/4885IDH1 1311/4885

“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.