SCHEMBL16614682

SCHEMBL16614682

Cc1ccc(-c2cc(C(C)(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccccn5)CC4(C)C)cn3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.64
CFTR P13569 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
RBP4 P02753 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
GRM5 P41594 1/20 0.36
SYK P43405 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL16614741 0.93 F2RL1 (0.74) F2RL1CFTRGAAL3MBTL1RBP4
SCHEMBL16614657 0.93 F2RL1 (0.63) F2RL1CFTRL3MBTL1RBP4TSHR
SCHEMBL16614493 0.92 F2RL1 (0.58) F2RL1CFTRGAAL3MBTL1RBP4
SCHEMBL16614641 0.92 F2RL1 (0.65) F2RL1CFTRKDM4ETSHRHSD17B10
SCHEMBL16614649 0.92 F2RL1 (0.63) F2RL1CFTRL3MBTL1RBP4SYK
SCHEMBL16614959 0.90 F2RL1 (0.62) F2RL1CFTRGAAL3MBTL1RBP4
SCHEMBL16614661 0.90 F2RL1 (0.62) F2RL1CFTRGAARBP4GRM5
SCHEMBL16614711 0.88 F2RL1 (0.61) F2RL1CFTRL3MBTL1RBP4GRM5
SCHEMBL16614705 0.88 F2RL1 (0.61) F2RL1CFTRL3MBTL1RBP4GRM5
SCHEMBL16614647 0.85 F2RL1 (0.63) F2RL1CFTRL3MBTL1KDM4ETSHR

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 398/4885GAA 4396/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885GAA 4396/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885GAA 4396/4885

“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.