SCHEMBL16614657

SCHEMBL16614657

CC(C)(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3(C)C)nc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.63
RBP4 P02753 4/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CFTR P13569 1/20 0.39
TACR3 P29371 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SLC6A7 Q99884 1/20 0.36
CCR4 P51679 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16614682 0.93 F2RL1 (0.64) F2RL1RBP4CFTRL3MBTL1ABL1
SCHEMBL16614741 0.92 F2RL1 (0.74) F2RL1RBP4CFTRL3MBTL1ABL1
SCHEMBL16614668 0.92 F2RL1 (0.65) F2RL1RBP4CFTRTACR3SLC6A7
SCHEMBL16614705 0.92 F2RL1 (0.61) F2RL1RBP4KCNK3KCNK9CFTR
SCHEMBL16614649 0.91 F2RL1 (0.63) F2RL1RBP4CFTRTACR3L3MBTL1
SCHEMBL16614711 0.90 F2RL1 (0.61) F2RL1RBP4CFTRL3MBTL1
SCHEMBL16614661 0.90 F2RL1 (0.62) F2RL1RBP4CFTR
SCHEMBL16614493 0.89 F2RL1 (0.58) F2RL1RBP4CFTRL3MBTL1ALDH1A1
SCHEMBL16614959 0.88 F2RL1 (0.62) F2RL1RBP4CFTRL3MBTL1ALDH1A1
SCHEMBL16614961 0.85 F2RL1 (0.62) F2RL1CFTRTACR3

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 1/4885RBP4 2767/4885KCNK3 1882/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885RBP4 2767/4885KCNK3 1882/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885RBP4 2767/4885KCNK3 1882/4885

“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.