SCHEMBL16614822

SCHEMBL16614822

CC(C)c1cc(-c2ccc(C(F)(F)F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)c4ccncn4)CC3(C)C)nc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.59
CFTR P13569 1/20 0.33
MPL P40238 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
TBK1 Q9UHD2 3/20 0.31
MDM2 Q00987 1/20 0.31
F2R P25116 4/20 0.31
ITGB2 P05107 2/20 0.31
ICAM1 P05362 2/20 0.31
ITGAL P20701 2/20 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
SCHEMBL16614848 0.92 F2RL1 (0.62) F2RL1CFTRAXLFLT3TYRO3
SCHEMBL16614858 0.90 F2RL1 (0.62) F2RL1CFTRAXLFLT3TYRO3
SCHEMBL16614802 0.90 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16614774 0.89 F2RL1 (0.73) F2RL1CFTRF2R
SCHEMBL16614853 0.87 F2RL1 (0.66) F2RL1MDM2F2RITGB2ICAM1
SCHEMBL16614844 0.87 F2RL1 (0.63) F2RL1CFTRAXLFLT3TYRO3
SCHEMBL16614750 0.86 F2RL1 (0.59) F2RL1CFTRF2RITGB2ICAM1
SCHEMBL16614748 0.85 F2RL1 (0.64) F2RL1CFTR
SCHEMBL16614757 0.84 F2RL1 (0.59) F2RL1MDM2F2RITGB2ICAM1
SCHEMBL16614638 0.82 F2RL1 (0.62) F2RL1CFTRF2R

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 1/4885CFTR 398/4885MPL 564/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885MPL 564/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885MPL 564/4885

“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.