SCHEMBL16614501

SCHEMBL16614501

O=C(OCc1ccccc1)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.55
TRPC3 Q13507 2/20 0.48
TRPC7 Q9HCX4 2/20 0.48
HPGD P15428 4/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM1A O60341 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CNR2 P34972 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RY12 Q9H244 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL16614543 0.90 F2RL1 (0.67) F2RL1TRPC3TRPC7HPGDKDM4E
SCHEMBL16614516 0.88 F2RL1 (0.56) F2RL1TRPC3TRPC7ALDH1A1L3MBTL1
SCHEMBL16614716 0.83 F2RL1 (0.59) F2RL1HPGDKDM4EHSD17B10MAPT
SCHEMBL16614546 0.82 F2RL1 (0.59) F2RL1HPGDKDM4EHSD17B10LMNA
SCHEMBL16614586 0.82 F2RL1 (0.69) F2RL1HPGDKDM4EHSD17B10HTT
SCHEMBL16614953 0.82 F2RL1 (0.53) F2RL1TRPC3TRPC7KDM4EMAPT
SCHEMBL16614535 0.81 F2RL1 (0.59) F2RL1HPGDKDM4EHSD17B10LMNA
SCHEMBL16614542 0.81 F2RL1 (0.56) F2RL1HPGDKDM4EHSD17B10MAPT
SCHEMBL16614537 0.81 F2RL1 (0.55) F2RL1HPGDKDM4EHSD17B10MAPT
SCHEMBL16615028 0.80 F2RL1 (0.50) F2RL1KDM4EMAPTLMNAMAPK1

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 1/4885TRPC3 401/4885TRPC7 856/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885TRPC3 401/4885TRPC7 856/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885TRPC3 401/4885TRPC7 856/4885

“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.