SCHEMBL17339031

SCHEMBL17339031

CC1(C)OB(c2ccc(F)c(Br)c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.53
LIPG Q9Y5X9 13/20 0.53
EGFR P00533 1/20 0.41
ROCK1 Q13464 1/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
F11 P03951 1/20 0.38

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
SCHEMBL29016496 0.87 LPL (0.51) LPLLIPGEGFRROCK1CA1
SCHEMBL239104 0.85 LPL (0.56) LPLLIPGEGFRROCK1CA1
SCHEMBL14616470 0.81 LPL (0.53) LPLLIPGEGFRROCK1CA1
SCHEMBL20648243 0.81 LPL (0.53) LPLLIPGEGFRROCK1CA1
SCHEMBL31550445 0.81 LPL (0.53) LPLLIPGEGFRROCK1CA1
SCHEMBL32663644 0.81 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL14956320 0.81 LPL (0.47) LPLLIPGEGFRROCK1CA1
Ammonia Solution, Strong SCHEMBL18497260 0.80 LPL (0.51) LPLLIPGEGFRROCK1CA1
SCHEMBL1437613 0.80 EGFR (0.55) LPLLIPGEGFRROCK1CA1
SCHEMBL12496719 0.80 LPL (0.51) LPLLIPGEGFRROCK1CA1

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 LPL 4447/4885LIPG 4862/4885EGFR 2468/4885

“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.