SCHEMBL16614792

SCHEMBL16614792

Cc1nc[nH]c1C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.71
ABCG2 Q9UNQ0 1/20 0.36
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CFTR P13569 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
ACACA Q13085 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
KIT P10721 1/20 0.31
MAPT P10636 1/20 0.31
RIPK1 Q13546 1/20 0.31
HTR2A P28223 1/20 0.31
PRCP P42785 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
SCHEMBL16614742 0.87 F2RL1 (0.71) F2RL1ABCG2ABCB1ALDH1A1L3MBTL1
SCHEMBL16614739 0.87 F2RL1 (0.73) F2RL1ABCG2ABCB1ALDH1A1CFTR
SCHEMBL16614824 0.86 F2RL1 (0.82) F2RL1ABCG2ABCB1ALDH1A1CFTR
SCHEMBL16614760 0.86 F2RL1 (0.74) F2RL1ABCG2ABCB1CFTRKDM4E
SCHEMBL16614717 0.86 F2RL1 (0.72) F2RL1ABCG2ABCB1CFTRCSNK1D
SCHEMBL16614998 0.86 F2RL1 (0.72) F2RL1ABCG2ABCB1ALDH1A1L3MBTL1
SCHEMBL16614736 0.86 F2RL1 (0.76) F2RL1ABCG2ABCB1CFTRKDM4E
SCHEMBL16614767 0.85 F2RL1 (0.71) F2RL1ABCG2ABCB1CFTRCSNK1D
SCHEMBL16614721 0.85 F2RL1 (0.73) F2RL1ABCG2ABCB1ALDH1A1L3MBTL1
SCHEMBL16614719 0.85 F2RL1 (0.77) F2RL1ABCG2CFTRCSNK1DCSNK1E

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 1/4885ABCG2 1086/4885ABCB1 1148/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ABCG2 1086/4885ABCB1 1148/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ABCG2 1086/4885ABCB1 1148/4885

“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.