SCHEMBL16614560

SCHEMBL16614560

CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)CC3(C)C)nc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.61
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
NAAA Q02083 1/20 0.32
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31
KIT P10721 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABCB1 P08183 1/20 0.30
CFTR P13569 1/20 0.30
CCKAR P32238 1/20 0.30
ENPP2 Q13822 1/20 0.30
ACACA Q13085 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
SCHEMBL16615043 0.92 F2RL1 (0.62) F2RL1HPGDKDM4EABCG2NAAA
SCHEMBL16615042 0.90 F2RL1 (0.76) F2RL1HPGDKDM4EABCG2NAAA
SCHEMBL16614520 0.90 F2RL1 (0.61) F2RL1HPGDKDM4EABCG2NAAA
SCHEMBL16614552 0.89 F2RL1 (0.58) F2RL1HPGDKDM4EABCG2DPP4
SCHEMBL16614545 0.88 F2RL1 (0.63) F2RL1HPGDKDM4EABCG2DPP4
SCHEMBL16614549 0.88 F2RL1 (0.65) F2RL1HPGDKDM4EABCG2NAAA
SCHEMBL16598707 0.87 F2RL1 (0.65) F2RL1HPGDKDM4EABCG2DPP4
SCHEMBL16598768 0.85 F2RL1 (0.82) F2RL1HPGDKDM4EHSD17B10ENPP2
SCHEMBL16614980 0.83 F2RL1 (0.83) F2RL1HPGDKDM4EABCG2DPP4
SCHEMBL16614550 0.82 F2RL1 (0.59) F2RL1HPGDKDM4EABCG2DPP4

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 1/4885HPGD 333/4885KDM4E 3698/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885KDM4E 3698/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885KDM4E 3698/4885

“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.