SCHEMBL16614664

SCHEMBL16614664

Cc1nc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(-c5ccc(F)cc5)c4n3)C(C)(C)C2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.58
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
DPP4 P27487 1/20 0.34
TACR3 P29371 1/20 0.34
KIT P10721 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR2A P28223 1/20 0.33
RAD51 Q06609 1/20 0.32
CFTR P13569 2/20 0.32
MTOR P42345 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
SCHEMBL16598681 0.91 F2RL1 (0.72) F2RL1HCRTR1HCRTR2ABCG2TACR3
SCHEMBL20926888 0.87 F2RL1 (0.60) F2RL1HCRTR1HCRTR2ABCG2DPP4
SCHEMBL16614530 0.83 F2RL1 (0.62) F2RL1HCRTR1HCRTR2TACR3RAD51
SCHEMBL16598440 0.83 F2RL1 (0.61) F2RL1TACR3
SCHEMBL16614500 0.83 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16614814 0.82 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16614675 0.82 F2RL1 (0.59) F2RL1TACR3
SCHEMBL16614709 0.82 F2RL1 (0.59) F2RL1TACR3
SCHEMBL16614653 0.81 F2RL1 (0.60) F2RL1
SCHEMBL19910927 0.79 F2RL1 (0.72) F2RL1HCRTR1HCRTR2ABCG2TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885HCRTR1 1762/4885HCRTR2 725/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885HCRTR1 1762/4885HCRTR2 725/4885

“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.