SCHEMBL16614636

SCHEMBL16614636

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.62
RAD51 Q06609 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
CFTR P13569 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP11B2 P19099 1/20 0.32
TRPC3 Q13507 1/20 0.31
TRPC7 Q9HCX4 1/20 0.31
TACR3 P29371 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16614630 0.89 F2RL1 (0.62) F2RL1CFTR
SCHEMBL16614631 0.89 F2RL1 (0.62) F2RL1CFTR
SCHEMBL16614530 0.88 F2RL1 (0.62) F2RL1RAD51HCRTR1HCRTR2TRPV1
SCHEMBL16614946 0.86 F2RL1 (0.69) F2RL1HCRTR1HCRTR2TRPV1
SCHEMBL16614645 0.86 F2RL1 (0.61) F2RL1HCRTR1HCRTR2TRPV1TRPC3
SCHEMBL16614718 0.86 F2RL1 (0.63) F2RL1CFTRTRPV1CYP11B2KDM4E
SCHEMBL16614784 0.86 F2RL1 (0.63) F2RL1CFTRTRPV1TACR3KDM4E
SCHEMBL16614619 0.86 F2RL1 (0.65) F2RL1CFTRTRPV1TACR3KDM4E
SCHEMBL16614858 0.85 F2RL1 (0.62) F2RL1CFTR
SCHEMBL16614857 0.85 F2RL1 (0.62) F2RL1HCRTR1HCRTR2CFTRTRPV1

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 4 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-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 1/4885RAD51 3508/4885HCRTR1 1762/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885RAD51 3508/4885HCRTR1 1762/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885RAD51 3508/4885HCRTR1 1762/4885

“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.