SCHEMBL16614652

SCHEMBL16614652

COC(=O)C1CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)C1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.72
NTRK1 P04629 1/20 0.33
RORC P51449 3/20 0.32
KIT P10721 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CFTR P13569 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
ABCG2 Q9UNQ0 1/20 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
SCHEMBL16615123 0.94 F2RL1 (0.72) F2RL1NTRK1RORCACACBACACA
SCHEMBL16615166 0.94 F2RL1 (0.72) F2RL1NTRK1RORCACACBACACA
SCHEMBL16614601 0.93 F2RL1 (0.74) F2RL1NTRK1KITACACBACACA
SCHEMBL16614695 0.93 F2RL1 (0.74) F2RL1NTRK1KITACACBACACA
SCHEMBL16614602 0.93 F2RL1 (0.74) F2RL1NTRK1KITACACBACACA
SCHEMBL16614726 0.89 F2RL1 (0.75) F2RL1NTRK1RORCACACBACACA
SCHEMBL16614674 0.88 F2RL1 (0.74) F2RL1RORCACACBACACAALDH1A1
SCHEMBL16598496 0.88 F2RL1 (0.74) F2RL1RORCACACBACACAALDH1A1
SCHEMBL16614677 0.88 F2RL1 (0.74) F2RL1RORCACACBACACAALDH1A1
SCHEMBL16614513 0.88 F2RL1 (0.74) F2RL1NTRK1RORCKITACACB

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 1/4885NTRK1 1554/4885RORC 2517/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885NTRK1 1554/4885RORC 2517/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885NTRK1 1554/4885RORC 2517/4885

“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.