SCHEMBL16614836

SCHEMBL16614836

CN(CCO)C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HSD17B10 Q99714 5/20 0.60
HPGD P15428 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 3/20 0.57
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
THRB P10828 1/20 0.55
KDM4E B2RXH2 5/20 0.54
TTR P02766 1/20 0.54
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
POLB P06746 1/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL16615203 0.90 KDM4E (0.67) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL1719577 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL14367444 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL14367451 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL1720125 0.81 KDM4E (0.80) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL1718621 0.81 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL1718188 0.78 ALDH1A1 (0.78) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL1718290 0.77 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL1718257 0.76 KDM4E (0.60) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53
SCHEMBL1718692 0.76 HPGD (0.67) ALDH1A1HSD17B10HPGDSMN1; SMN2TP53

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 ALDH1A1 2459/4885HSD17B10 4235/4885HPGD 333/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 ALDH1A1 2459/4885HSD17B10 4235/4885HPGD 333/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 ALDH1A1 2459/4885HSD17B10 4235/4885HPGD 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.