SCHEMBL16614775

SCHEMBL16614775

CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4nc[nH]n4)CC3(C)C)nc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.72
F2R P25116 4/20 0.35
CFTR P13569 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
TACR3 P29371 2/20 0.32
CCKAR P32238 1/20 0.32
KIT P10721 1/20 0.31
ABCB1 P08183 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL16615058 0.93 F2RL1 (0.62) F2RL1F2RCFTRTACR3CCKAR
SCHEMBL16614764 0.93 F2RL1 (0.62) F2RL1F2RCFTRTACR3KIT
SCHEMBL16614758 0.92 F2RL1 (0.63) F2RL1F2RCFTRTACR3
SCHEMBL16614801 0.91 F2RL1 (0.61) F2RL1F2RCFTRGRM5
SCHEMBL16615068 0.91 F2RL1 (0.61) F2RL1F2RCFTR
SCHEMBL20926888 0.91 F2RL1 (0.60) F2RL1CFTRABCG2TACR3KIT
SCHEMBL16614996 0.89 F2RL1 (0.76) F2RL1F2RCFTRABCG2CCKAR
SCHEMBL16614756 0.88 F2RL1 (0.65) F2RL1CFTRABCG2TACR3ABCB1
SCHEMBL16614760 0.88 F2RL1 (0.74) F2RL1CFTRABCG2TACR3KIT
SCHEMBL16598283 0.87 F2RL1 (0.83) F2RL1F2RCFTRABCG2CCKAR

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 4 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-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.