SCHEMBL16614665

SCHEMBL16614665

CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.39
PARP1 P09874 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
CDC7 O00311 1/20 0.35
PIM1 P11309 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP11B2 P19099 1/20 0.35
SCN9A Q15858 1/20 0.35
GRM2 Q14416 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL16614896 0.96 F2RL1 (0.46) F2RL1SMN1; SMN2CNR2PARP1CDC7
SCHEMBL16614891 0.96 F2RL1 (0.46) F2RL1SMN1; SMN2CNR2PARP1HCRTR1
SCHEMBL16614890 0.94 F2RL1 (0.45) F2RL1SMN1; SMN2CNR2PARP1HCRTR1
SCHEMBL16614892 0.92 F2RL1 (0.45) F2RL1SMN1; SMN2CNR2HCRTR1HCRTR2
SCHEMBL16614894 0.92 F2RL1 (0.45) F2RL1SMN1; SMN2CNR2PARP1CYP11B2
SCHEMBL16614900 0.92 F2RL1 (0.48) F2RL1SMN1; SMN2CNR2PARP1CYP11B2
SCHEMBL16598977 0.92 F2RL1 (0.45) F2RL1SMN1; SMN2CNR2PARP1ABCG2
SCHEMBL16598754 0.91 F2RL1 (0.47) F2RL1SMN1; SMN2CNR2PARP1ABCG2
SCHEMBL16614898 0.91 F2RL1 (0.45) F2RL1SMN1; SMN2CNR2PARP1HCRTR1
SCHEMBL16614893 0.90 F2RL1 (0.44) F2RL1SMN1; SMN2CNR2PARP1CYP11B2

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
US-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2019-04-25 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
WO-2015048245-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-02 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 (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-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885SMN1; SMN2 3885/4885CNR2 17/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885SMN1; SMN2 3885/4885CNR2 17/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885SMN1; SMN2 3885/4885CNR2 17/4885

“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.