SCHEMBL16614824

SCHEMBL16614824

CC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.82
ABCG2 Q9UNQ0 1/20 0.41
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ACACA Q13085 2/20 0.34
ACACB O00763 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KIT P10721 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
ABCB1 P08183 1/20 0.33
HDAC3 O15379 1/20 0.33
CFTR P13569 1/20 0.33
PRCP P42785 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 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
SCHEMBL16614576 0.92 F2RL1 (0.79) F2RL1ABCG2HPGDKDM4EHSD17B10
SCHEMBL16614720 0.92 F2RL1 (0.79) F2RL1ABCG2HPGDKDM4EHSD17B10
SCHEMBL16598729 0.90 F2RL1 (0.77) F2RL1ABCG2HPGDKDM4EHSD17B10
SCHEMBL16614511 0.90 F2RL1 (0.77) F2RL1ABCG2HPGDKDM4EACACA
SCHEMBL16598572 0.90 F2RL1 (0.77) F2RL1ABCG2HPGDKDM4EACACA
SCHEMBL16614719 0.90 F2RL1 (0.77) F2RL1ABCG2HPGDKDM4EKIT
SCHEMBL16598394 0.90 F2RL1 (1.00) F2RL1ABCG2HPGDKDM4EHSD17B10
SCHEMBL21156736 0.90 F2RL1 (0.76) F2RL1ABCG2HPGDKDM4EHSD17B10
SCHEMBL16614736 0.89 F2RL1 (0.76) F2RL1ABCG2HPGDKDM4EKIT
SCHEMBL22758432 0.89 F2RL1 (0.76) F2RL1ABCG2HPGDKDM4E

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 1/4885ABCG2 1086/4885HPGD 333/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ABCG2 1086/4885HPGD 333/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ABCG2 1086/4885HPGD 333/4885

“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.