SCHEMBL16614906

SCHEMBL16614906

CC(C)c1cc(-c2cccc(F)c2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.52
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ABCB1 P08183 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RPS6KA3 P51812 1/20 0.33
CCKAR P32238 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL16614799 0.91 F2RL1 (0.47) F2RL1CNR2SMN1; SMN2PARP1HCRTR1
SCHEMBL16598430 0.91 F2RL1 (0.62) F2RL1CNR2SMN1; SMN2PARP1ABCG2
SCHEMBL16614787 0.89 F2RL1 (0.51) F2RL1CNR2SMN1; SMN2PARP1
SCHEMBL16614846 0.89 F2RL1 (0.53) F2RL1CNR2SMN1; SMN2PARP1
SCHEMBL16598411 0.88 F2RL1 (0.51) F2RL1CNR2SMN1; SMN2PARP1
SCHEMBL16614634 0.87 F2RL1 (0.51) F2RL1CNR2SMN1; SMN2PARP1
SCHEMBL16614729 0.87 F2RL1 (0.51) F2RL1CNR2SMN1; SMN2PARP1
SCHEMBL16614908 0.87 F2RL1 (0.50) F2RL1CNR2SMN1; SMN2PARP1CCKAR
SCHEMBL16614841 0.86 F2RL1 (0.53) F2RL1CNR2SMN1; SMN2PARP1HCRTR1
SCHEMBL16614922 0.86 F2RL1 (0.49) F2RL1CNR2SMN1; SMN2PARP1HCRTR1

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 1/4885CNR2 17/4885SMN1; SMN2 3885/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CNR2 17/4885SMN1; SMN2 3885/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CNR2 17/4885SMN1; SMN2 3885/4885

“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.