SCHEMBL16614517

SCHEMBL16614517

CCOC1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.64
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RBP4 P02753 5/20 0.42
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
DPP4 P27487 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC7 Q9HCX4 1/20 0.40
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PRCP P42785 1/20 0.38

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
SCHEMBL16614548 0.89 F2RL1 (0.52) F2RL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL16614543 0.87 F2RL1 (0.67) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16614546 0.85 F2RL1 (0.59) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16614535 0.84 F2RL1 (0.59) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16614716 0.83 F2RL1 (0.59) F2RL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL16614558 0.82 F2RL1 (0.58) F2RL1ALDH1A1L3MBTL1RBP4HPGD
SCHEMBL16614523 0.82 F2RL1 (0.55) F2RL1ALDH1A1RBP4HPGDKDM4E
SCHEMBL16614522 0.82 F2RL1 (0.55) F2RL1RBP4HPGDKDM4EHSD17B10
SCHEMBL16614537 0.82 F2RL1 (0.55) F2RL1ALDH1A1L3MBTL1RBP4HPGD
SCHEMBL16614542 0.80 F2RL1 (0.56) F2RL1ALDH1A1HPGDKDM4EHSD17B10

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.