SCHEMBL16615009

SCHEMBL16615009

Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)C5CC(C)(O)C5)CC4(C)C)cn3n2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.62
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
F2R P25116 4/20 0.33
KMO O15229 2/20 0.32
GRIN2B Q13224 4/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 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
SCHEMBL16614620 0.94 F2RL1 (0.62) F2RL1F2RGRIN2B
SCHEMBL16598660 0.91 F2RL1 (0.75) F2RL1ACACBACACAF2R
SCHEMBL16614744 0.91 F2RL1 (0.75) F2RL1ACACBACACAF2R
SCHEMBL16614687 0.91 F2RL1 (0.62) F2RL1F2RKMOGRIN2B
SCHEMBL16615059 0.90 F2RL1 (0.65) F2RL1ACACBACACAF2RGAA
SCHEMBL16614849 0.89 F2RL1 (0.60) F2RL1F2R
SCHEMBL16614804 0.89 F2RL1 (0.60) F2RL1F2R
SCHEMBL16614755 0.88 F2RL1 (0.61) F2RL1F2R
SCHEMBL16614847 0.88 F2RL1 (0.61) F2RL1F2R
SCHEMBL16614505 0.88 F2RL1 (0.62) F2RL1ACACBACACAKMOGRIN2B

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 1/4885ACACB 3694/4885ACACA 4094/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ACACB 3694/4885ACACA 4094/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ACACB 3694/4885ACACA 4094/4885

“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.