SCHEMBL16614547

SCHEMBL16614547

Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCC(C#N)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.46
KDM1A O60341 1/20 0.40
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SCN9A Q15858 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
LMNA P02545 3/20 0.37
DPP4 P27487 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC7 Q9HCX4 1/20 0.37
ABCB1 P08183 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
ENPP2 Q13822 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18179257 0.87 F2RL1 (0.47) F2RL1HPGDKDM4ESCN9AHSD17B10
SCHEMBL16599357 0.85 NPC1 (0.49) F2RL1HPGDKDM4EHSD17B10ABCG2
SCHEMBL16614548 0.83 F2RL1 (0.52) F2RL1HPGDKDM4EHSD17B10LMNA
SCHEMBL16614557 0.81 F2RL1 (0.48) F2RL1HPGDKDM4EHSD17B10LMNA
SCHEMBL16598854 0.79 F2RL1 (0.50) F2RL1SCN9AABCG2
SCHEMBL16614839 0.79 F2RL1 (0.49) F2RL1KDM1AHPGDKDM4EHSD17B10
SCHEMBL16598329 0.79 F2RL1 (0.61) F2RL1HPGDKDM4EHSD17B10ABCG2
SCHEMBL16598490 0.78 KDM4E (0.44) F2RL1HPGDKDM4EHSD17B10ABCG2
SCHEMBL16615029 0.76 F2RL1 (0.46) F2RL1HPGDSCN9AABCG2TSHR
SCHEMBL16614874 0.75 F2RL1 (0.61) F2RL1HPGDKDM4EABCG2

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 1/4885KDM1A 3473/4885HPGD 333/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885KDM1A 3473/4885HPGD 333/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885KDM1A 3473/4885HPGD 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.