SCHEMBL16614748

SCHEMBL16614748

CC1(C)CN(C(=O)c2ccncn2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.64
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CSNK1D P48730 3/20 0.36
CSNK1E P49674 3/20 0.36
CFTR P13569 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
PRCP P42785 2/20 0.33
TACR1 P25103 1/20 0.33
KCNK3 O14649 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
SCHEMBL16614782 0.94 F2RL1 (0.73) F2RL1HPGDKDM4ECSNK1DCSNK1E
SCHEMBL16598529 0.88 F2RL1 (0.72) F2RL1HPGDKDM4EHSD17B10ALDH1A1
SCHEMBL16614774 0.88 F2RL1 (0.73) F2RL1HPGDKDM4ECSNK1DCSNK1E
SCHEMBL18179263 0.86 F2RL1 (0.50) F2RL1HPGDKDM4ECSNK1DCSNK1E
SCHEMBL16614807 0.86 F2RL1 (0.63) F2RL1HPGDKDM4ECSNK1DCSNK1E
SCHEMBL16598561 0.85 F2RL1 (0.71) F2RL1HPGDKDM4ECSNK1DCSNK1E
SCHEMBL16614822 0.85 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16614772 0.85 F2RL1 (0.64) F2RL1HPGDKDM4ECFTRHSD17B10
SCHEMBL16614858 0.84 F2RL1 (0.62) F2RL1CFTRTACR1
SCHEMBL16614719 0.84 F2RL1 (0.77) F2RL1HPGDKDM4ECSNK1DCSNK1E

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.