SCHEMBL16614758

SCHEMBL16614758

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.63
CFTR P13569 1/20 0.33
TACR3 P29371 1/20 0.32
F2R P25116 4/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC7 Q9HCX4 1/20 0.31
KCNH2 Q12809 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL16614775 0.92 F2RL1 (0.72) F2RL1CFTRTACR3F2R
SCHEMBL16615058 0.91 F2RL1 (0.62) F2RL1CFTRTACR3F2RLMNA
SCHEMBL16614764 0.91 F2RL1 (0.62) F2RL1CFTRTACR3F2RMKNK1
SCHEMBL16614619 0.90 F2RL1 (0.65) F2RL1CFTRTACR3LMNATP53
SCHEMBL16614530 0.89 F2RL1 (0.62) F2RL1TACR3F2RTRPC3TRPC7
SCHEMBL16614801 0.88 F2RL1 (0.61) F2RL1CFTRF2R
SCHEMBL16615068 0.88 F2RL1 (0.61) F2RL1CFTRF2RTP53
SCHEMBL16614946 0.86 F2RL1 (0.69) F2RL1F2RKCNH2MKNK1MKNK2
SCHEMBL16614645 0.86 F2RL1 (0.61) F2RL1TACR3LMNATRPC3TRPC7
SCHEMBL16614784 0.85 F2RL1 (0.63) F2RL1CFTRTACR3LMNA

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 1/4885CFTR 398/4885TACR3 937/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885TACR3 937/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885TACR3 937/4885

“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.