SCHEMBL3596086

SCHEMBL3596086

Cn1cc(-c2cnc3[nH]cc(CC#N)c3c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.52
PDPK1 O15530 2/20 0.50
TNIK Q9UKE5 1/20 0.49
PIM1 P11309 1/20 0.46

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
SCHEMBL9278508 0.81 ALK (0.54) ALKPDPK1TNIK
SCHEMBL17785592 0.81 CSNK2A1 (0.51) PIM1
SCHEMBL4069914 0.80 ALK (0.53) ALKPDPK1
SCHEMBL4072944 0.79 PDPK1 (0.50) ALKPDPK1TNIK
SCHEMBL3591973 0.77 PDPK1 (0.49) ALKPDPK1
SCHEMBL28512236 0.77 ALK (0.54) ALKPDPK1TNIK
SCHEMBL720228 0.77 ALK (0.57) ALKPDPK1TNIK
SCHEMBL20950738 0.77 PIM1 (0.46) ALKPIM1
SCHEMBL16344211 0.77 PDPK1 (0.58) ALKPDPK1
SCHEMBL3833314 0.74 ALK (0.52) ALKPDPK1

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 ALK 924/4885PDPK1 86/4885TNIK 144/4885

“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.