SCHEMBL16614718

SCHEMBL16614718

CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cccnn4)CC3(C)C)nc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.63
CFTR P13569 1/20 0.35
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSA P10619 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2R P25116 4/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 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
SCHEMBL16614766 0.92 F2RL1 (0.74) F2RL1CFTRKDM4EHPGDF2R
SCHEMBL16614784 0.91 F2RL1 (0.63) F2RL1CFTRKDM4EHPGDMEN1
SCHEMBL16614619 0.90 F2RL1 (0.65) F2RL1CFTRKDM4ETRPV1LMNA
SCHEMBL16614858 0.88 F2RL1 (0.62) F2RL1CFTRAXLFLT3TYRO3
SCHEMBL16614946 0.87 F2RL1 (0.69) F2RL1TRPV1F2R
SCHEMBL16614636 0.86 F2RL1 (0.62) F2RL1CFTRCYP11B2KDM4EHPGD
SCHEMBL16614857 0.86 F2RL1 (0.62) F2RL1CFTRCYP11B2KDM4EHPGD
SCHEMBL16614759 0.85 F2RL1 (0.61) F2RL1CFTRCTSAF2R
SCHEMBL16614629 0.85 F2RL1 (0.65) F2RL1CYP11B2TRPV1F2R
SCHEMBL16614530 0.85 F2RL1 (0.62) F2RL1TRPV1F2R

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 1/4885CFTR 398/4885CYP11B2 497/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885CYP11B2 497/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885CYP11B2 497/4885

“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.