SCHEMBL16615018

SCHEMBL16615018

CC1(C)CN(C(=O)C2CC(O)(C(F)(F)F)C2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C3CCOCC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.54
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
MAPK1 P28482 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ABCB1 P08183 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
SCHEMBL16614964 0.90 F2RL1 (0.53) F2RL1HPGDACACBACACAKDM4E
SCHEMBL16614731 0.87 F2RL1 (0.64) F2RL1HPGDTSHRRAB9AACACB
SCHEMBL16614608 0.86 F2RL1 (0.72) F2RL1HPGDTSHRRAB9AACACB
SCHEMBL16614735 0.86 F2RL1 (0.71) F2RL1HPGDTSHRRAB9AACACB
SCHEMBL16598506 0.83 F2RL1 (0.63) F2RL1HPGDACACBACACACNR1
SCHEMBL16614726 0.81 F2RL1 (0.75) F2RL1HPGDTSHRRAB9AACACB
SCHEMBL16598593 0.81 F2RL1 (0.64) F2RL1HPGDCNR1CNR2CSNK1D
SCHEMBL16598619 0.80 F2RL1 (0.58) F2RL1CNR1CNR2ABCG2
SCHEMBL16614747 0.80 F2RL1 (0.63) F2RL1HPGDTSHRACACBACACA
SCHEMBL16614856 0.80 F2RL1 (0.63) F2RL1HPGDTSHRACACBACACA

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 333/4885TSHR 1202/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885TSHR 1202/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885TSHR 1202/4885

“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.