SCHEMBL16614830

SCHEMBL16614830

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

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.82
ABCG2 Q9UNQ0 1/20 0.41
F2R P25116 4/20 0.36
KCNK3 O14649 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ABCB1 P08183 1/20 0.33
CFTR P13569 1/20 0.33
CCKAR P32238 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16598283 0.94 F2RL1 (0.83) F2RL1ABCG2F2RKDM4EHPGD
SCHEMBL16614553 0.92 F2RL1 (0.79) F2RL1ABCG2F2RKDM4EHPGD
SCHEMBL16614592 0.91 F2RL1 (0.81) F2RL1ABCG2F2RKDM4EHPGD
SCHEMBL16614866 0.91 F2RL1 (0.78) F2RL1ABCG2F2RKDM4EHPGD
SCHEMBL16614788 0.90 F2RL1 (0.82) F2RL1ABCG2F2RKDM4EHPGD
SCHEMBL16614725 0.90 F2RL1 (0.77) F2RL1F2RCFTRPOLB
SCHEMBL16614561 0.90 F2RL1 (0.77) F2RL1ABCG2F2RKDM4EHPGD
SCHEMBL16614996 0.89 F2RL1 (0.76) F2RL1ABCG2F2RABCB1CFTR
SCHEMBL16614633 0.89 F2RL1 (0.75) F2RL1ABCG2F2RKDM4EHPGD
SCHEMBL16615004 0.89 F2RL1 (0.75) F2RL1ABCG2F2RACACBACACA

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

“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.