SCHEMBL16614548

SCHEMBL16614548

CCOC1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C)c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.52
LMNA P02545 4/20 0.43
DPP4 P27487 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC7 Q9HCX4 1/20 0.41
MAPT P10636 2/20 0.39
CCKAR P32238 2/20 0.39
ENPP2 Q13822 1/20 0.39
JAK1 P23458 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL16614517 0.89 F2RL1 (0.64) F2RL1LMNADPP4TSHRKDM4E
SCHEMBL16614557 0.89 F2RL1 (0.48) F2RL1LMNADPP4TSHRKDM4E
SCHEMBL16599357 0.83 NPC1 (0.49) F2RL1DPP4KDM4ETP53HSD17B10
SCHEMBL16614547 0.83 F2RL1 (0.46) F2RL1LMNADPP4TSHRKDM4E
SCHEMBL18179257 0.80 F2RL1 (0.47) F2RL1DPP4TSHRKDM4ETP53
SCHEMBL16614839 0.79 F2RL1 (0.49) F2RL1LMNADPP4TSHRKDM4E
SCHEMBL16598854 0.78 F2RL1 (0.50) F2RL1
SCHEMBL16598329 0.77 F2RL1 (0.61) F2RL1KDM4EHSD17B10HTTHPGD
SCHEMBL16598490 0.77 KDM4E (0.44) F2RL1KDM4ETP53HSD17B10HPGD
SCHEMBL16614543 0.76 F2RL1 (0.67) F2RL1LMNATSHRKDM4ETP53

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 1/4885LMNA 1735/4885DPP4 195/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885LMNA 1735/4885DPP4 195/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885LMNA 1735/4885DPP4 195/4885

“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.