SCHEMBL16614774

SCHEMBL16614774

CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccncn4)CC3(C)C)nc12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.73
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
CFTR P13569 1/20 0.35
F2R P25116 4/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
CCR8 P51685 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCKAR P32238 1/20 0.33
KCNK3 O14649 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ATR Q13535 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
SCHEMBL16614844 0.93 F2RL1 (0.63) F2RL1CFTRCCR8KCNH2CCKAR
SCHEMBL16614848 0.93 F2RL1 (0.62) F2RL1CSNK1DCSNK1ECFTRF2R
SCHEMBL16614858 0.92 F2RL1 (0.62) F2RL1CFTRCCR8KCNH2
SCHEMBL16614802 0.91 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16614725 0.91 F2RL1 (0.77) F2RL1CSNK1DCSNK1ECFTRF2R
SCHEMBL16614800 0.90 F2RL1 (0.74) F2RL1CSNK1DCSNK1ECFTRF2R
SCHEMBL16614822 0.89 F2RL1 (0.59) F2RL1CFTRF2R
SCHEMBL16614996 0.88 F2RL1 (0.76) F2RL1CFTRF2RABCG2CCKAR
SCHEMBL16598283 0.88 F2RL1 (0.83) F2RL1CFTRF2RABCG2CCKAR
SCHEMBL16614782 0.88 F2RL1 (0.73) F2RL1CSNK1DCSNK1ECFTRABCG2

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 1/4885CSNK1D 1263/4885CSNK1E 1491/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CSNK1D 1263/4885CSNK1E 1491/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CSNK1D 1263/4885CSNK1E 1491/4885

“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.