SCHEMBL16614978

SCHEMBL16614978

Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)no1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.74
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL16615031 0.89 F2RL1 (0.74) F2RL1CSNK1DCSNK1ERAB9ATSHR
SCHEMBL16615017 0.88 F2RL1 (0.75) F2RL1CSNK1DCSNK1EKDM4EHPGD
SCHEMBL16614824 0.88 F2RL1 (0.82) F2RL1KDM4EHPGDABCG2
SCHEMBL16614719 0.87 F2RL1 (0.77) F2RL1CSNK1DCSNK1EKDM4EHPGD
SCHEMBL16614576 0.86 F2RL1 (0.79) F2RL1CSNK1DCSNK1EKDM4EHPGD
SCHEMBL16614720 0.86 F2RL1 (0.79) F2RL1MAPTKDM4EHPGDABCG2
SCHEMBL16614737 0.86 F2RL1 (0.72) F2RL1CSNK1DCSNK1ERAB9ATSHR
SCHEMBL16614741 0.86 F2RL1 (0.74) F2RL1CSNK1DCSNK1EKDM4EHPGD
SCHEMBL16614736 0.86 F2RL1 (0.76) F2RL1KDM4EHPGDABCG2
SCHEMBL16614782 0.85 F2RL1 (0.73) F2RL1CSNK1DCSNK1EKDM4EHPGD

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.