SCHEMBL16614732

SCHEMBL16614732

CC(C)c1cc(-c2ccc(F)c(C(F)(F)F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.66
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
GRIN2B Q13224 2/20 0.34
F2RL3 Q96RI0 1/20 0.34
KMO O15229 2/20 0.34
RPS6KB1 P23443 3/20 0.33
AKT1 P31749 3/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
BTK Q06187 1/20 0.32
F2R P25116 1/20 0.32

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
SCHEMBL16614853 0.94 F2RL1 (0.66) F2RL1ITGB2ICAM1ITGALBTK
SCHEMBL16614738 0.92 F2RL1 (0.69) F2RL1CSNK1EGRIN2BF2R
SCHEMBL16614773 0.91 F2RL1 (0.68) F2RL1AKT1F2R
SCHEMBL16614852 0.89 F2RL1 (0.68) F2RL1KMOF2R
SCHEMBL16614946 0.89 F2RL1 (0.69) F2RL1F2R
SCHEMBL16614592 0.89 F2RL1 (0.81) F2RL1CSNK1DCSNK1EF2R
SCHEMBL16615019 0.87 F2RL1 (0.62) F2RL1CSNK1DCSNK1EF2RL3
SCHEMBL16614851 0.87 F2RL1 (0.68) F2RL1F2R
SCHEMBL16614947 0.87 F2RL1 (0.70) F2RL1F2R
SCHEMBL16614733 0.87 F2RL1 (0.70) F2RL1CSNK1DCSNK1EF2R

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 1/4885CSNK1D 1263/4885CSNK1E 1491/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CSNK1D 1263/4885CSNK1E 1491/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CSNK1D 1263/4885CSNK1E 1491/4885

“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.