SCHEMBL16614673

SCHEMBL16614673

CC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)[C@H]4CC[C@H](C(=O)O)CC4)CC3(C)C)nc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.61
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
SYK P43405 1/20 0.34
MPL P40238 2/20 0.33
MMP13 P45452 1/20 0.32
RORC P51449 3/20 0.32
KMO O15229 1/20 0.31
NTRK1 P04629 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL16614713 1.00 F2RL1 (0.61) F2RL1PARP1PARP2SYKMPL
SCHEMBL16614712 0.94 F2RL1 (0.61) F2RL1PARP1PARP2SYKMPL
SCHEMBL16614669 0.92 F2RL1 (0.62) F2RL1PARP1PARP2KMONTRK1
SCHEMBL16614676 0.92 F2RL1 (0.63) F2RL1PARP1PARP2SYKRORC
SCHEMBL16614690 0.92 F2RL1 (0.63) F2RL1PARP1PARP2SYKRORC
SCHEMBL16614677 0.90 F2RL1 (0.74) F2RL1RORC
SCHEMBL16614674 0.90 F2RL1 (0.74) F2RL1RORC
SCHEMBL16598496 0.90 F2RL1 (0.74) F2RL1RORC
SCHEMBL16614678 0.89 F2RL1 (0.61) F2RL1PARP1PARP2MPLMMP13
SCHEMBL16614706 0.89 F2RL1 (0.61) F2RL1PARP1PARP2MPLMMP13

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 1/4885PARP1 67/4885PARP2 57/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885PARP1 67/4885PARP2 57/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885PARP1 67/4885PARP2 57/4885

“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.