SCHEMBL16614628

SCHEMBL16614628

Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ncccn5)CC4(C)C)cn3n2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.63
KMO O15229 2/20 0.38
CFTR P13569 1/20 0.35
GRM5 P41594 3/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
GRIN2B Q13224 1/20 0.34
F2R P25116 4/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL16614625 0.94 F2RL1 (0.63) F2RL1CFTRGRM5F2R
SCHEMBL16614638 0.93 F2RL1 (0.62) F2RL1KMOCFTRGRM5F2R
SCHEMBL16614996 0.91 F2RL1 (0.76) F2RL1CFTRGRM5F2R
SCHEMBL16615068 0.90 F2RL1 (0.61) F2RL1KMOCFTRGRIN2BF2R
SCHEMBL16614960 0.88 F2RL1 (0.63) F2RL1KMOCFTRGRM5PDE4B
SCHEMBL16614852 0.88 F2RL1 (0.68) F2RL1KMOF2RMAPT
SCHEMBL16614637 0.88 F2RL1 (0.61) F2RL1KMOCFTRF2RMAPT
SCHEMBL16614630 0.87 F2RL1 (0.62) F2RL1KMOCFTRGRM5F2R
SCHEMBL16615009 0.87 F2RL1 (0.62) F2RL1KMOGRIN2BF2RMAPT
SCHEMBL16614619 0.87 F2RL1 (0.65) F2RL1CFTR

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 1/4885KMO 974/4885CFTR 398/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885KMO 974/4885CFTR 398/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885KMO 974/4885CFTR 398/4885

“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.