SCHEMBL3345820

SCHEMBL3345820

CS(=O)(=O)c1nc(Nc2cc(F)cc(F)c2)ncc1-c1cccc(C=CC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 10/20 0.43
PTGS2 P35354 1/20 0.40
RHOA P61586 2/20 0.40
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
EGFR P00533 1/20 0.37
PIM1 P11309 2/20 0.37
FYN P06241 1/20 0.37
PTK2 Q05397 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
AURKA O14965 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL3345818 1.00 PIM2 (0.43) PIM2PTGS2RHOATHRBHTT
SCHEMBL3452877 0.88 CDK2 (0.40) EGFRCDK2CDK9
SCHEMBL3449534 0.87 RIPK2 (0.45) PIM2PTGS2RHOATHRBHTT
SCHEMBL3449538 0.87 RIPK2 (0.45) PIM2PTGS2RHOATHRBHTT
SCHEMBL3344327 0.87 PIM2 (0.40) PIM2RHOAEGFRAURKA
SCHEMBL3344324 0.87 PIM2 (0.40) PIM2RHOAEGFRAURKA
SCHEMBL3452880 0.85 PTGS2 (0.38) PTGS2EGFRPTK2CCNT1CCNE1
SCHEMBL3452005 0.84 THRB (0.46) PIM2PTGS2RHOATHRBHTT
SCHEMBL3452002 0.84 THRB (0.46) PIM2PTGS2RHOATHRBHTT
SCHEMBL3452879 0.80 PTK2 (0.38) PTGS2PTK2CCNT1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PIM2 3060/4885PTGS2 355/4885RHOA 2069/4885

“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.