SCHEMBL3694591

SCHEMBL3694591

C[C@H]1CN(c2nnc(Cl)c3ccncc23)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
KIT P10721 1/20 0.45
PRKCI P41743 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCZ Q05513 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKD1 Q15139 1/20 0.41
HRH4 Q9H3N8 2/20 0.40

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
SCHEMBL3694593 1.00 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL1102295 0.85 MEN1 (0.55) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3669381 0.85 MEN1 (0.55) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL4149590 0.79 PRKCI (0.39) PRKCICYP3A4CYP2D6NFKB1PRKD3
SCHEMBL4149597 0.79 PRKCI (0.39) PRKCICYP3A4CYP2D6NFKB1PRKD3
SCHEMBL3691847 0.79 PRKCI (0.39) PRKCICYP3A4CYP2D6NFKB1PRKD3
SCHEMBL10444851 0.77 SMO (0.45) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3695499 0.77 SMO (0.55) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3695501 0.77 SMO (0.55) MAPK13MAPK12MAPK11MAPK14KIT
Tert-Butyl Formate SCHEMBL28793137 0.75 MEN1 (0.43) MAPK13MAPK12MAPK11MAPK14KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188283-B1 ANNELATED PYRIDAZINES FOR THE TREATMENT OF TUMORS DRIVEN BY INAPPROPRIATE HEDGEHOG SIGNALLING AMGEN INC (US) 2012-08-15 EP disclosed
US-8222251-B2 Pyridopyridazine compounds, compositions and methods of use AMGEN INC. (US) 2012-07-17 US disclosed
US-8222251-B2 Pyridopyridazine compounds, compositions and methods of use AMGEN INC. (US) 2012-07-17 US disclosed
EP-2188283-A1 ANNELATED PYRIDAZINES FOR THE TREATMENT OF TUMORS DRIVEN BY INAPPROPRIATE HEDGEHOG SIGNALLING Amgen Inc. (US) 2010-05-26 EP disclosed
US-20090099173-A1 Pyridopyridazine compounds, compositions and methods of use AMGEN INC. (US) 2009-04-16 US disclosed
US-20090099173-A1 Pyridopyridazine compounds, compositions and methods of use AMGEN INC. (US) 2009-04-16 US disclosed
WO-2009035568-A1 ANNELATED PYRIDAZINES FOR THE TREATMENT OF TUMORS DRIVEN BY INAPPROPRIATE HEDGEHOG SIGNALLING AMGEN INC. (US) 2009-03-19 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-20090099173-A1 Pyridopyridazine compounds, compositions and methods of use DPYD, CYP3A5, PNPO MAPK13 3087/4885MAPK12 1628/4885MAPK11 2547/4885

“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.