SCHEMBL16614778

SCHEMBL16614778

CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4nnn[nH]4)CC3(C)C)nc12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.72
TACR3 P29371 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
CFTR P13569 1/20 0.31
HTR2A P28223 1/20 0.30
KIT P10721 1/20 0.30
PLA2G7 Q13093 1/20 0.30
MGLL Q99685 1/20 0.30
ABHD6 Q9BV23 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
SCHEMBL19910927 0.88 F2RL1 (0.72) F2RL1TACR3KDM4EHPGDABCG2
SCHEMBL16614717 0.88 F2RL1 (0.72) F2RL1TACR3KDM4EHPGDABCG2
SCHEMBL16614730 0.88 F2RL1 (0.72) F2RL1TACR3KDM4EHPGDABCG2
SCHEMBL16614885 0.87 F2RL1 (0.73) F2RL1TACR3KDM4EHPGDABCG2
SCHEMBL16614824 0.87 F2RL1 (0.82) F2RL1KDM4EHPGDABCG2CFTR
SCHEMBL16614998 0.87 F2RL1 (0.72) F2RL1KDM4EHPGDABCG2CFTR
SCHEMBL16614751 0.87 F2RL1 (0.72) F2RL1TACR3KDM4EHPGDABCG2
SCHEMBL16614719 0.85 F2RL1 (0.77) F2RL1TACR3KDM4EHPGDABCG2
SCHEMBL16614720 0.85 F2RL1 (0.79) F2RL1KDM4EHPGDABCG2CFTR
SCHEMBL16614576 0.85 F2RL1 (0.79) F2RL1KDM4EHPGDABCG2CFTR

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 1/4885TACR3 937/4885KDM4E 3698/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885KDM4E 3698/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885KDM4E 3698/4885

“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.