SCHEMBL16614767

SCHEMBL16614767

Cc1ncc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.71
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
KIT P10721 5/20 0.33
ABCB1 P08183 1/20 0.32
CFTR P13569 1/20 0.32
TACR3 P29371 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
RIPK1 Q13546 1/20 0.31

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
SCHEMBL16614977 0.94 F2RL1 (0.62) F2RL1KITCFTRTACR3KDM4E
SCHEMBL16614999 0.93 F2RL1 (0.61) F2RL1TACR3
SCHEMBL16614667 0.93 F2RL1 (0.60) F2RL1KITCFTRTACR3KDM4E
SCHEMBL16614949 0.92 F2RL1 (0.60) F2RL1CFTRRIPK1
SCHEMBL16614917 0.91 F2RL1 (0.59) F2RL1KITCFTRTACR3
SCHEMBL16614704 0.91 F2RL1 (0.59) F2RL1CFTRTACR3RIPK1
SCHEMBL16614751 0.87 F2RL1 (0.72) F2RL1ABCG2KITABCB1TACR3
SCHEMBL16614885 0.87 F2RL1 (0.73) F2RL1CSNK1DCSNK1EABCG2KIT
SCHEMBL16614824 0.86 F2RL1 (0.82) F2RL1ABCG2KITABCB1CFTR
SCHEMBL16614717 0.86 F2RL1 (0.72) F2RL1CSNK1DCSNK1EABCG2KIT

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 1/4885CSNK1D 1263/4885CSNK1E 1491/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CSNK1D 1263/4885CSNK1E 1491/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CSNK1D 1263/4885CSNK1E 1491/4885

“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.