SCHEMBL16614898

SCHEMBL16614898

CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccn[nH]3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.45
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 2/20 0.38
CNR2 P34972 1/20 0.36
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
NTRK1 P04629 1/20 0.34
CYP11B2 P19099 1/20 0.34
IDO1 P14902 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL16614665 0.91 F2RL1 (0.49) F2RL1SMN1; SMN2PARP1CNR2HCRTR1
SCHEMBL16614896 0.87 F2RL1 (0.46) F2RL1SMN1; SMN2PARP1CNR2
SCHEMBL16614891 0.87 F2RL1 (0.46) F2RL1SMN1; SMN2PARP1CNR2HCRTR1
SCHEMBL16614900 0.86 F2RL1 (0.48) F2RL1SMN1; SMN2PARP1CNR2CYP11B2
SCHEMBL16598754 0.85 F2RL1 (0.47) F2RL1SMN1; SMN2PARP1CNR2CYP11B2
SCHEMBL16614890 0.85 F2RL1 (0.45) F2RL1SMN1; SMN2PARP1CNR2HCRTR1
SCHEMBL16614894 0.85 F2RL1 (0.45) F2RL1SMN1; SMN2PARP1CNR2CYP11B2
SCHEMBL16614892 0.85 F2RL1 (0.45) F2RL1SMN1; SMN2CNR2HCRTR1HCRTR2
SCHEMBL16614893 0.85 F2RL1 (0.44) F2RL1SMN1; SMN2PARP1CNR2AKT1
SCHEMBL16598977 0.85 F2RL1 (0.45) F2RL1SMN1; SMN2PARP1CNR2CYP11B2

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 3885/4885PARP1 67/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885SMN1; SMN2 3885/4885PARP1 67/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885SMN1; SMN2 3885/4885PARP1 67/4885

“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.