SCHEMBL16614709

SCHEMBL16614709

Cc1nc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.59
KLKB1 P03952 4/20 0.31
PSD A5PKW4 1/20 0.31
TACR3 P29371 1/20 0.31
KMO O15229 1/20 0.30
RIPK1 Q13546 1/20 0.30
GRIN2B Q13224 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
SCHEMBL16614500 0.93 F2RL1 (0.61) F2RL1KMORIPK1
SCHEMBL16598681 0.91 F2RL1 (0.72) F2RL1TACR3
SCHEMBL16598440 0.91 F2RL1 (0.61) F2RL1TACR3
SCHEMBL16614814 0.90 F2RL1 (0.59) F2RL1
SCHEMBL16614658 0.89 F2RL1 (0.59) F2RL1TACR3KMORIPK1
SCHEMBL16614660 0.89 F2RL1 (0.62) F2RL1KMOGRIN2B
SCHEMBL16614704 0.87 F2RL1 (0.59) F2RL1TACR3KMORIPK1GRIN2B
SCHEMBL16614710 0.87 F2RL1 (0.60) F2RL1TACR3KMORIPK1
SCHEMBL16614693 0.85 F2RL1 (0.59) F2RL1RIPK1
SCHEMBL16614711 0.84 F2RL1 (0.61) F2RL1KMO

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 4 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-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 1/4885KLKB1 1074/4885PSD 2358/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885KLKB1 1074/4885PSD 2358/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885KLKB1 1074/4885PSD 2358/4885

“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.