SCHEMBL16614646

SCHEMBL16614646

Cc1ccc(-c2cc(C(C)(C)C)c3nc(C(=O)N4CCN(C(=O)c5nnc(C)o5)CC4(C)C)cn3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.63
CFTR P13569 1/20 0.33
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ACACA Q13085 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TLR4 O00206 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL16614703 0.94 F2RL1 (0.61) F2RL1CFTRACACAHSD17B10KDM4E
SCHEMBL16614737 0.94 F2RL1 (0.72) F2RL1CFTRABCB1ABCG2ACACA
SCHEMBL16614663 0.93 F2RL1 (0.62) F2RL1CFTR
SCHEMBL16614640 0.90 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16615021 0.90 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16614693 0.89 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16614902 0.89 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16615007 0.88 F2RL1 (0.63) F2RL1CFTRABCB1HSD17B10KDM4E
SCHEMBL16614641 0.85 F2RL1 (0.65) F2RL1CFTRACACAHSD17B10KDM4E
SCHEMBL16614682 0.84 F2RL1 (0.64) F2RL1CFTRHSD17B10KDM4EALDH1A1

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 1/4885CFTR 398/4885ABCB1 1148/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885ABCB1 1148/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885ABCB1 1148/4885

“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.