SCHEMBL16615203

SCHEMBL16615203

CN(CCO)C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
HSD17B10 Q99714 3/20 0.67
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HPGD P15428 5/20 0.64
TP53 P04637 3/20 0.64
POLB P06746 1/20 0.64
KMT2A Q03164 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 2/20 0.56
THRB P10828 1/20 0.56
CASP1 P29466 2/20 0.53
CASP7 P55210 1/20 0.53
MAPT P10636 3/20 0.51
TTR P02766 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL16614836 0.90 ALDH1A1 (0.60) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1718188 0.88 ALDH1A1 (0.78) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1718290 0.82 ALDH1A1 (0.76) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL14367441 0.81 KDM4E (0.76) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1718257 0.81 KDM4E (0.60) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1720214 0.81 KDM4E (0.72) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL3278525 0.81 KDM4E (1.00) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL14367355 0.80 HPGD (0.74) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1719577 0.80 ALDH1A1 (0.57) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL25969353 0.78 KDM4E (0.64) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD

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 KDM4E 3698/4885HSD17B10 4235/4885ALDH1A1 2459/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 KDM4E 3698/4885HSD17B10 4235/4885ALDH1A1 2459/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 KDM4E 3698/4885HSD17B10 4235/4885ALDH1A1 2459/4885

“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.