SCHEMBL16614737

SCHEMBL16614737

Cc1nnc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)o1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.72
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ABCB1 P08183 1/20 0.33
CFTR P13569 1/20 0.32
TACR3 P29371 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PRCP P42785 2/20 0.31
ACACA Q13085 1/20 0.31
DPP4 P27487 1/20 0.31
TSHR P16473 1/20 0.30
RAB9A P51151 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
SCHEMBL16614646 0.94 F2RL1 (0.63) F2RL1ABCG2ABCB1CFTRHPGD
SCHEMBL16614663 0.93 F2RL1 (0.62) F2RL1CFTR
SCHEMBL16614703 0.93 F2RL1 (0.61) F2RL1CFTRTACR3HPGDKDM4E
SCHEMBL16615021 0.92 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16614640 0.92 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16614902 0.91 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16614693 0.91 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16615005 0.88 F2RL1 (0.72) F2RL1CSNK1DCSNK1EABCG2ABCB1
SCHEMBL16614824 0.87 F2RL1 (0.82) F2RL1ABCG2ABCB1CFTRHPGD
SCHEMBL16614978 0.86 F2RL1 (0.74) F2RL1CSNK1DCSNK1EABCG2HPGD

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.