SCHEMBL16615166

SCHEMBL16615166

COC(=O)[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.72
RORC P51449 4/20 0.37
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NTRK1 P04629 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CSNK1D P48730 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DPP4 P27487 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16615123 1.00 F2RL1 (0.72) F2RL1RORCACACBACACAALDH1A1
SCHEMBL16614652 0.94 F2RL1 (0.72) F2RL1RORCACACBACACAALDH1A1
SCHEMBL16614834 0.93 F2RL1 (0.62) F2RL1ACACBACACAALDH1A1TSHR
SCHEMBL16614674 0.93 F2RL1 (0.74) F2RL1RORCACACBACACAALDH1A1
SCHEMBL16598496 0.93 F2RL1 (0.74) F2RL1RORCACACBACACAALDH1A1
SCHEMBL16614677 0.93 F2RL1 (0.74) F2RL1RORCACACBACACAALDH1A1
SCHEMBL22734410 0.91 F2RL1 (0.72) F2RL1ACACBACACAALDH1A1NTRK1
SCHEMBL22734409 0.91 F2RL1 (0.72) F2RL1ACACBACACAALDH1A1NTRK1
SCHEMBL16614650 0.91 F2RL1 (0.70) F2RL1RORCACACBACACAALDH1A1
SCHEMBL18169482 0.89 F2RL1 (0.71) F2RL1RORCACACBACACAALDH1A1

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 1/4885RORC 2517/4885ACACB 3694/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885RORC 2517/4885ACACB 3694/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885RORC 2517/4885ACACB 3694/4885

“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.