SCHEMBL16614530

SCHEMBL16614530

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.62
RAD51 Q06609 1/20 0.34
FASN P49327 1/20 0.33
TACR3 P29371 2/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC7 Q9HCX4 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SCN9A Q15858 2/20 0.31
CNR1 P21554 1/20 0.31
KCNH2 Q12809 1/20 0.31
F2R P25116 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
SCHEMBL16614758 0.89 F2RL1 (0.63) F2RL1TACR3TRPC3TRPC7ACACB
SCHEMBL16614645 0.89 F2RL1 (0.61) F2RL1TACR3TRPC3TRPC7HCRTR1
SCHEMBL16614619 0.89 F2RL1 (0.65) F2RL1TACR3TRPV1KCNH2
SCHEMBL16614636 0.88 F2RL1 (0.62) F2RL1RAD51TACR3TRPC3TRPC7
SCHEMBL16614675 0.88 F2RL1 (0.59) F2RL1TACR3F2R
SCHEMBL16614857 0.87 F2RL1 (0.62) F2RL1TACR3ACACBACACAHCRTR1
SCHEMBL16614946 0.86 F2RL1 (0.69) F2RL1FASNHCRTR1HCRTR2TRPV1
SCHEMBL16614759 0.85 F2RL1 (0.61) F2RL1KCNH2F2R
SCHEMBL16614718 0.85 F2RL1 (0.63) F2RL1TRPV1F2R
SCHEMBL16614784 0.85 F2RL1 (0.63) F2RL1TACR3TRPV1

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 3508/4885FASN 3054/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885RAD51 3508/4885FASN 3054/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885RAD51 3508/4885FASN 3054/4885

“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.