SCHEMBL16614679

SCHEMBL16614679

COC1CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)c(Cl)c5)cc(C(C)C)c4n3)C(C)(C)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.59
F2R P25116 4/20 0.36
MAP4K1 Q92918 2/20 0.34
CALCRL Q16602 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CTSA P10619 2/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
GPR183 P32249 1/20 0.30
CFTR P13569 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
SCHEMBL16614809 0.92 F2RL1 (0.61) F2RL1F2RCALCRLCTSAPARP1
SCHEMBL16614823 0.92 F2RL1 (0.61) F2RL1F2RCALCRLCTSAPARP1
SCHEMBL16614810 0.92 F2RL1 (0.61) F2RL1F2RCALCRLCTSAPARP1
SCHEMBL16614696 0.92 F2RL1 (0.61) F2RL1F2RCALCRLCTSAPARP1
SCHEMBL16614687 0.90 F2RL1 (0.62) F2RL1F2RCTSAPARP1PARP2
SCHEMBL16614678 0.90 F2RL1 (0.61) F2RL1F2RCTSAPARP1PARP2
SCHEMBL16614706 0.90 F2RL1 (0.61) F2RL1F2RCTSAPARP1PARP2
SCHEMBL16614708 0.88 F2RL1 (0.59) F2RL1F2RCTSAPARP1PARP2
SCHEMBL18179265 0.84 F2RL1 (0.60) F2RL1F2RCFTR
SCHEMBL16614563 0.84 F2RL1 (0.60) F2RL1F2RCFTR

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 2/4885MAP4K1 85/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885F2R 2/4885MAP4K1 85/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885F2R 2/4885MAP4K1 85/4885

“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.