SCHEMBL17339036

SCHEMBL17339036

NC(=O)c1ccc(-c2cc(Br)ccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.50
▸ ERN1 O75460 1/20 0.47
▸ AR P10275 2/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MKNK1 Q9BUB5 4/20 0.43
▸ MKNK2 Q9HBH9 3/20 0.43
▸ FYN P06241 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CHEK2 O96017 2/20 0.42
▸ MAP4K4 O95819 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGER1 P34995 1/20 0.39
▸ PARP15 Q460N3 1/20 0.39

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
SCHEMBL8208555 0.87 DGAT1 (0.54) DGAT1ERN1ARPARP1PTGS1
SCHEMBL1787719 0.85 ERN1 (0.51) ERN1ARPARP1PTGS1NPC1
SCHEMBL4991368 0.83 PTGS1 (0.54) ERN1ARPARP1PTGS1NPC1
SCHEMBL12607546 0.78 ERN1 (0.55) ERN1ARPTGS1NPC1RAB9A
SCHEMBL14830590 0.78 ERN1 (0.48) ERN1ARPARP1PTGS1NPC1
SCHEMBL18255784 0.76 HDAC3 (0.56) NPC1RAB9AALDH1A1MAPT
SCHEMBL6608739 0.76 CA1 (0.55) ERN1PARP1MKNK1MKNK2ALDH1A1
SCHEMBL607022 0.75 MAPT (0.67) PARP1PTGS1NPC1RAB9AMKNK1
SCHEMBL30958374 0.75 MAPT (0.67) PARP1PTGS1NPC1RAB9AMKNK1
SCHEMBL1785895 0.74 FFAR4 (0.51) FYNCHEK2MAP4K4PARP15PARP14

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 DGAT1 4855/4885ERN1 4176/4885AR 1140/4885

“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.

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