SCHEMBL16615008

SCHEMBL16615008

Cc1nnc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C)c(F)c5)cc(C(C)C)c4n3)C(C)(C)C2)o1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.61
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
F2R P25116 4/20 0.33
CFTR P13569 1/20 0.31
RIPK1 Q13546 1/20 0.31
KMO O15229 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
SCHEMBL16614769 0.94 F2RL1 (0.61) F2RL1F2R
SCHEMBL16615005 0.92 F2RL1 (0.72) F2RL1F2RCFTR
SCHEMBL16615007 0.90 F2RL1 (0.63) F2RL1F2RCFTR
SCHEMBL16614743 0.89 F2RL1 (0.62) F2RL1F2RCFTR
SCHEMBL16614759 0.89 F2RL1 (0.61) F2RL1F2RCFTR
SCHEMBL16615021 0.89 F2RL1 (0.61) F2RL1MAPTGAACFTRRIPK1
SCHEMBL16614628 0.86 F2RL1 (0.63) F2RL1MAPTF2RCFTRKMO
SCHEMBL16614852 0.86 F2RL1 (0.68) F2RL1MAPTGAAF2RRIPK1
SCHEMBL16614630 0.85 F2RL1 (0.62) F2RL1MAPTGAAF2RCFTR
SCHEMBL16614638 0.85 F2RL1 (0.62) F2RL1MAPTF2RCFTRKMO

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 1/4885MAPT 4428/4885GAA 4396/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885MAPT 4428/4885GAA 4396/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885MAPT 4428/4885GAA 4396/4885

“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.