SCHEMBL17339012

SCHEMBL17339012

COC(=O)c1cc(OC)c(Cl)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHEK1 O14757 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2775679 0.88 GAA (0.49) GAAKDM4EPOLBSMN1; SMN2HTT
SCHEMBL6588104 0.87 KDM4E (0.56) GAAKDM4EPOLBSMN1; SMN2HTT
SCHEMBL11255716 0.87 GAA (0.49) GAAKDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL23137996 0.83 GAA (0.52) GAAKDM4EPOLBSMN1; SMN2HTT
SCHEMBL12082180 0.83 GAA (0.49) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL4728790 0.81 GAA (0.48) GAAKDM4EPOLBSMN1; SMN2HTT
SCHEMBL27808161 0.80 GAA (0.57) GAAKDM4EPOLBSMN1; SMN2HTT
SCHEMBL8576931 0.77 CA1 (0.50)
SCHEMBL8900419 0.76 GAA (0.72) GAAKDM4EPOLBSMN1; SMN2HTT
SCHEMBL2476221 0.76 GAA (0.62) GAAKDM4EPOLBSMN1; SMN2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154979-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. PFIZER LTD (GB) 2018-03-07 EP disclosed
US-9802945-B2 Imidazopyridazine derivatives as modulators of the GABAA receptor activity PFIZER LIMITED (GB) 2017-10-31 US disclosed
US-20170197965-A1 Imidazopyridazine Derivatives As Modulators of the GABAA Receptor Activity PFIZER LIMITED (GB) 2017-07-13 US disclosed
EP-3154979-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. Pfizer Limited (GB) 2017-04-19 EP disclosed
WO-2015189744-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. PFIZER LIMITED (GB) 2015-12-17 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 (1 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-20170197965-A1 Imidazopyridazine Derivatives As Modulators of the GABAA Receptor Activity GABRA5, GABRA3, GABRA2 GAA 4020/4885KDM4E 2315/4885POLB 4368/4885

“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.