SCHEMBL16614745

SCHEMBL16614745

CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(N)C(F)(F)F)CC3(C)C)nc12

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.75
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PRCP P42785 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KIT P10721 1/20 0.32
NAAA Q02083 1/20 0.32
KCNH2 Q12809 1/20 0.32
LDHA P00338 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL16614768 0.91 F2RL1 (0.76) F2RL1HPGDKDM4E
SCHEMBL16614576 0.90 F2RL1 (0.79) F2RL1HPGDKDM4EPRCPALDH1A1
SCHEMBL16614794 0.89 F2RL1 (0.76) F2RL1HPGDKDM4EPRCPHSD17B10
SCHEMBL16614824 0.89 F2RL1 (0.82) F2RL1HPGDKDM4EPRCPALDH1A1
SCHEMBL16614897 0.88 F2RL1 (0.76) F2RL1HPGDKDM4EPRCPALDH1A1
SCHEMBL16614511 0.87 F2RL1 (0.77) F2RL1HPGDKDM4EPRCPALDH1A1
SCHEMBL16614720 0.87 F2RL1 (0.79) F2RL1HPGDKDM4EPRCPHSD17B10
SCHEMBL16598561 0.86 F2RL1 (0.71) F2RL1HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL16598529 0.86 F2RL1 (0.72) F2RL1HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL16614726 0.86 F2RL1 (0.75) F2RL1HPGDKDM4EPRCPALDH1A1

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 1/4885HPGD 333/4885KDM4E 3698/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885KDM4E 3698/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885KDM4E 3698/4885

“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.