SCHEMBL16614920

SCHEMBL16614920

Cc1n[nH]c(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)C)c4n3)C(C)(C)C2)n1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.72
F2R P25116 4/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
TACR3 P29371 1/20 0.32
KIT P10721 1/20 0.32
ABCB1 P08183 1/20 0.31
HTR2A P28223 1/20 0.31
CFTR P13569 1/20 0.31
CCKAR P32238 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL16615048 0.94 F2RL1 (0.63) F2RL1TACR3CFTR
SCHEMBL16614997 0.92 F2RL1 (0.61) F2RL1F2RCFTR
SCHEMBL16614746 0.92 F2RL1 (0.61) F2RL1F2R
SCHEMBL16614510 0.90 F2RL1 (0.58) F2RL1ABCG2TACR3KITABCB1
SCHEMBL19910927 0.88 F2RL1 (0.72) F2RL1ABCG2TACR3KITABCB1
SCHEMBL16614789 0.88 F2RL1 (0.72) F2RL1F2RABCG2TACR3ABCB1
SCHEMBL16598283 0.87 F2RL1 (0.83) F2RL1F2RABCG2ABCB1CFTR
SCHEMBL16614830 0.87 F2RL1 (0.82) F2RL1F2RABCG2ABCB1CFTR
SCHEMBL16614776 0.87 F2RL1 (0.72) F2RL1F2RABCG2KITABCB1
SCHEMBL16614752 0.86 F2RL1 (0.71) F2RL1F2RABCG2ABCB1CFTR

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 1/4885F2R 2/4885ABCG2 1086/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885F2R 2/4885ABCG2 1086/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885F2R 2/4885ABCG2 1086/4885

“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.