SCHEMBL4052998

SCHEMBL4052998

CC(=O)C(Cl)c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.40
BRD4 O60885 1/20 0.39
TPMT P51580 1/20 0.38
GSK3B P49841 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CNR1 P21554 1/20 0.34
ALB P02768 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL3993817 0.80 BRD4 (0.61) BRD4CNR1SLC6A3LMNA
SCHEMBL2551253 0.80 ESR1 (0.50) BRD4CA1CA2SLC6A3ALDH1A1
SCHEMBL3993198 0.80 SMN1; SMN2 (0.42) BRD4ALDH1A1LMNA
SCHEMBL1511329 0.78 HDAC3 (0.44) BRD4CA1CA2ALDH1A1LMNA
SCHEMBL3993015 0.78 CYP1A2 (0.53) BRD4CNR1
SCHEMBL356020 0.77 LMNA (0.47) ALDH1A1LMNAGAAMAPTATM
SCHEMBL15026099 0.77 ACACB (0.42) ACACBBRD4TPMTGSK3BCA1
SCHEMBL11756963 0.77 GSK3B (0.55) ACACBTPMTGSK3BCA1CA2
Hydrochloric Acid SCHEMBL27891676 0.76 LMNA (0.46) ALDH1A1LMNAGAAMAPTATM
Methyl Alcohol SCHEMBL28233463 0.76 LMNA (0.46) ALDH1A1LMNAGAAMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB ACACB 496/4885BRD4 815/4885TPMT 720/4885

“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.