SCHEMBL16614839

SCHEMBL16614839

COC(=O)[C@@H]1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C)c3n2)C[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.49
KDM4E B2RXH2 3/20 0.38
RORC P51449 2/20 0.37
KDM1A O60341 1/20 0.37
LMNA P02545 3/20 0.36
DPP4 P27487 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC7 Q9HCX4 1/20 0.34

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
SCHEMBL16614536 0.89 F2RL1 (0.61) F2RL1KDM4ERORCTSHRALDH1A1
SCHEMBL18179258 0.81 F2RL1 (0.62) F2RL1KDM4ELMNATSHRALDH1A1
SCHEMBL16598854 0.81 F2RL1 (0.50) F2RL1ABCG2
SCHEMBL16598329 0.80 F2RL1 (0.61) F2RL1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL16615041 0.79 F2RL1 (0.57) F2RL1KDM4ERORCTSHRALDH1A1
SCHEMBL16614548 0.79 F2RL1 (0.52) F2RL1KDM4ELMNADPP4TSHR
SCHEMBL16599357 0.79 NPC1 (0.49) F2RL1KDM4EDPP4ALDH1A1TP53
SCHEMBL16614547 0.79 F2RL1 (0.46) F2RL1KDM4EKDM1ALMNADPP4
SCHEMBL16614557 0.79 F2RL1 (0.48) F2RL1KDM4ELMNADPP4TSHR
SCHEMBL16614632 0.78 F2RL1 (0.60) F2RL1KDM4ETSHRALDH1A1HSD17B10

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 1/4885KDM4E 3698/4885RORC 2517/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885KDM4E 3698/4885RORC 2517/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885KDM4E 3698/4885RORC 2517/4885

“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.