SCHEMBL16615004

SCHEMBL16615004

CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cncnc4)CC3(C)C)nc12

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.75
F2R P25116 4/20 0.34
CFTR P13569 1/20 0.33
TACR3 P29371 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
KIT P10721 2/20 0.32
ABCB1 P08183 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GRM5 P41594 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
SCHEMBL16614725 0.92 F2RL1 (0.77) F2RL1F2RCFTRTACR3GRM5
SCHEMBL16614790 0.92 F2RL1 (0.72) F2RL1CFTR
SCHEMBL16614724 0.90 F2RL1 (0.74) F2RL1F2RCFTRABCG2ABCB1
SCHEMBL16598283 0.89 F2RL1 (0.83) F2RL1F2RCFTRABCG2ABCB1
SCHEMBL16614830 0.89 F2RL1 (0.82) F2RL1F2RCFTRABCG2ABCB1
SCHEMBL16615065 0.89 F2RL1 (0.72) F2RL1F2RCFTRGRM5
SCHEMBL16614774 0.88 F2RL1 (0.73) F2RL1F2RCFTRABCG2
SCHEMBL16614762 0.88 F2RL1 (0.75) F2RL1CFTRTACR3ABCG2KIT
SCHEMBL16614553 0.87 F2RL1 (0.79) F2RL1F2RCFTRABCG2ABCB1
SCHEMBL16614996 0.87 F2RL1 (0.76) F2RL1F2RCFTRABCG2ABCB1

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

“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.