SCHEMBL16614527

SCHEMBL16614527

Cc1cccc(-c2cc(C(C)(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)cn3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.57
USP19 O94966 1/20 0.35
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.32
CFTR P13569 1/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
DPP4 P27487 1/20 0.31
TACR3 P29371 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ABCB1 P08183 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
SCHEMBL16614647 0.92 F2RL1 (0.63) F2RL1USP19CFTRTACR3MAPT
SCHEMBL16614528 0.90 F2RL1 (0.57) F2RL1GRM5LMNAHCRTR1HCRTR2
SCHEMBL16614965 0.88 F2RL1 (0.61) F2RL1USP19CFTR
SCHEMBL16614648 0.88 F2RL1 (0.61) F2RL1USP19GRM5CFTR
SCHEMBL16614961 0.88 F2RL1 (0.62) F2RL1USP19CFTRTACR3
SCHEMBL16614885 0.88 F2RL1 (0.73) F2RL1USP19CFTRTACR3
SCHEMBL16614499 0.88 F2RL1 (0.59) F2RL1GRM5LMNACFTRDPP4
SCHEMBL16614526 0.87 F2RL1 (0.62) F2RL1USP19CFTRTACR3
SCHEMBL16614533 0.87 F2RL1 (0.57) F2RL1GRM5LMNACFTRHCRTR1
SCHEMBL16614493 0.87 F2RL1 (0.58) F2RL1GRM5LMNACFTRALDH1A1

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 1/4885USP19 4166/4885GRM5 623/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885USP19 4166/4885GRM5 623/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885USP19 4166/4885GRM5 623/4885

“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.