SCHEMBL16615017

SCHEMBL16615017

CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccno4)CC3(C)C)nc12

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.75
ABCB1 P08183 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
KCNH2 Q12809 1/20 0.35
CSNK1D P48730 3/20 0.34
CSNK1E P49674 3/20 0.34
CFTR P13569 1/20 0.33
PRCP P42785 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
RORC P51449 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACACA Q13085 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
SCHEMBL16614719 0.89 F2RL1 (0.77) F2RL1CSNK1DCSNK1ECFTRKDM4E
SCHEMBL16614824 0.89 F2RL1 (0.82) F2RL1ABCB1CFTRPRCPKDM4E
SCHEMBL16614978 0.88 F2RL1 (0.74) F2RL1CSNK1DCSNK1EKDM4EHPGD
SCHEMBL16614736 0.88 F2RL1 (0.76) F2RL1ABCB1CFTRPRCPKDM4E
SCHEMBL16614720 0.87 F2RL1 (0.79) F2RL1ABCB1CFTRPRCPKDM4E
SCHEMBL16614576 0.87 F2RL1 (0.79) F2RL1ABCB1KCNH2CSNK1DCSNK1E
SCHEMBL16615031 0.87 F2RL1 (0.74) F2RL1CSNK1DCSNK1ECFTRKDM4E
SCHEMBL16614741 0.87 F2RL1 (0.74) F2RL1CSNK1DCSNK1ECFTRPRCP
SCHEMBL16614782 0.86 F2RL1 (0.73) F2RL1ABCB1CSNK1DCSNK1ECFTR
SCHEMBL16614885 0.86 F2RL1 (0.73) F2RL1CSNK1DCSNK1ECFTRPRCP

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 1/4885ABCB1 1148/4885GABRG2 2699/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ABCB1 1148/4885GABRG2 2699/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ABCB1 1148/4885GABRG2 2699/4885

“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.