SCHEMBL16614684

SCHEMBL16614684

CCOC(=O)/C=C/C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.73
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL16614511 0.91 F2RL1 (0.77) F2RL1ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL16614824 0.86 F2RL1 (0.82) F2RL1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL16598394 0.85 F2RL1 (1.00) F2RL1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL16614576 0.84 F2RL1 (0.79) F2RL1ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL16614720 0.84 F2RL1 (0.79) F2RL1MAPTKDM4EHSD17B10HPGD
SCHEMBL16614767 0.84 F2RL1 (0.71) F2RL1KDM4EHPGDABCG2
SCHEMBL16614719 0.83 F2RL1 (0.77) F2RL1SMN1; SMN2KDM4EHPGDABCG2
SCHEMBL16598729 0.83 F2RL1 (0.77) F2RL1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL16598572 0.83 F2RL1 (0.77) F2RL1MAPTKDM4EHSD17B10HPGD
SCHEMBL16614978 0.83 F2RL1 (0.74) F2RL1MAPTHTTKMT2AKDM4E

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 1/4885ALDH1A1 2459/4885L3MBTL1 4764/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ALDH1A1 2459/4885L3MBTL1 4764/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ALDH1A1 2459/4885L3MBTL1 4764/4885

“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.