SCHEMBL16614523

SCHEMBL16614523

CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.55
SMO Q99835 5/20 0.41
HPGD P15428 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RBP4 P02753 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SPR P35270 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL16614522 0.85 F2RL1 (0.55) F2RL1HPGDKDM4ERBP4HSD17B10
SCHEMBL16614586 0.83 F2RL1 (0.69) F2RL1HPGDKDM4EHSD17B10TSHR
SCHEMBL16614496 0.82 F2RL1 (0.60) F2RL1HPGDKDM4EHSD17B10TSHR
SCHEMBL16614517 0.82 F2RL1 (0.64) F2RL1HPGDKDM4ERBP4HSD17B10
SCHEMBL16614558 0.81 F2RL1 (0.58) F2RL1HPGDKDM4ERBP4HSD17B10
SCHEMBL16614716 0.81 F2RL1 (0.59) F2RL1HPGDKDM4EHSD17B10TSHR
SCHEMBL16615026 0.80 F2RL1 (0.60) F2RL1HPGDKDM4EHSD17B10SPR
SCHEMBL16614536 0.79 F2RL1 (0.61) F2RL1HPGDKDM4ERBP4HSD17B10
SCHEMBL16614537 0.79 F2RL1 (0.55) F2RL1HPGDKDM4ERBP4HSD17B10
SCHEMBL16614543 0.79 F2RL1 (0.67) F2RL1HPGDKDM4EHSD17B10TSHR

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 1/4885SMO 822/4885HPGD 333/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885SMO 822/4885HPGD 333/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885SMO 822/4885HPGD 333/4885

“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.