SCHEMBL16614910

SCHEMBL16614910

CC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)c4ncccn4)CC3(C)C)nc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.62
KMO O15229 2/20 0.37
SLC6A7 Q99884 1/20 0.35
CFTR P13569 1/20 0.35
CTSA P10619 1/20 0.33
GRIN2B Q13224 4/20 0.32
GRM5 P41594 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL16614660 0.94 F2RL1 (0.62) F2RL1KMOSLC6A7CFTRGRIN2B
SCHEMBL16614705 0.93 F2RL1 (0.61) F2RL1SLC6A7CFTRCTSAGRM5
SCHEMBL16614681 0.92 F2RL1 (0.63) F2RL1CFTRGRM5
SCHEMBL16614668 0.92 F2RL1 (0.65) F2RL1SLC6A7CFTR
SCHEMBL16614960 0.90 F2RL1 (0.63) F2RL1KMOCFTRGRIN2BGRM5
SCHEMBL16614736 0.90 F2RL1 (0.76) F2RL1SLC6A7CFTRGRM5
SCHEMBL16614694 0.88 F2RL1 (0.60) F2RL1KMOCFTRCTSA
SCHEMBL16614641 0.88 F2RL1 (0.65) F2RL1SLC6A7CFTRGRM5
SCHEMBL16614669 0.88 F2RL1 (0.62) F2RL1KMOCTSAGRIN2B
SCHEMBL16614642 0.87 F2RL1 (0.65) F2RL1SLC6A7CFTR

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 1/4885KMO 974/4885SLC6A7 3363/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885KMO 974/4885SLC6A7 3363/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885KMO 974/4885SLC6A7 3363/4885

“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.