SCHEMBL16614756

SCHEMBL16614756

CC1(C)CN(C(=O)c2nc[nH]n2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.65
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CFTR P13569 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TACR3 P29371 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
PRCP P42785 1/20 0.31
RBP4 P02753 1/20 0.31
TTR P02766 1/20 0.31
ABCB1 P08183 1/20 0.31
GRM5 P41594 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
SCHEMBL16614760 0.94 F2RL1 (0.74) F2RL1HPGDKDM4ECFTRABCG2
SCHEMBL20926888 0.91 F2RL1 (0.60) F2RL1ALDH1A1HPGDKDM4ECFTR
SCHEMBL16614775 0.88 F2RL1 (0.72) F2RL1CFTRABCG2TACR3ABCB1
SCHEMBL16598529 0.87 F2RL1 (0.72) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16614807 0.85 F2RL1 (0.63) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16614758 0.85 F2RL1 (0.63) F2RL1CFTRTACR3HCRTR1HCRTR2
SCHEMBL16614615 0.85 F2RL1 (0.89) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16598561 0.84 F2RL1 (0.71) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16614748 0.84 F2RL1 (0.64) F2RL1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL16614772 0.84 F2RL1 (0.64) F2RL1ALDH1A1L3MBTL1HPGDKDM4E

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 4 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-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.