SCHEMBL2417035

SCHEMBL2417035

COc1ccc(CC(=O)Nc2n[nH]c3sc(C(=O)Nc4cccc(OC)c4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
NLRP3 Q96P20 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 3/20 0.46
PDGFRB P09619 2/20 0.46
FLT4 P35916 2/20 0.46
FLT3 P36888 2/20 0.46
CSF1R P07333 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
AURKA O14965 1/20 0.45

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
SCHEMBL2417376 0.95 USP2 (0.49) USP2NLRP3KMT2AMEN1SMN1; SMN2
SCHEMBL2416383 0.95 USP2 (0.49) USP2NLRP3KMT2AMEN1SMN1; SMN2
SCHEMBL2413176 0.94 USP2 (0.59) USP2NLRP3KMT2AMEN1SMN1; SMN2
SCHEMBL2419161 0.94 L3MBTL1 (0.53) USP2NLRP3KMT2AMEN1SMN1; SMN2
SCHEMBL2418326 0.93 USP2 (0.48) USP2NLRP3KMT2AMEN1SMN1; SMN2
SCHEMBL2413237 0.93 TP53 (0.55) NLRP3HDAC1SMN1; SMN2TP53FLT4
SCHEMBL2415952 0.92 NLRP3 (0.48) USP2NLRP3HDAC1SMN1; SMN2POLB
SCHEMBL2417977 0.92 TP53 (0.56) NLRP3KMT2AMEN1HDAC1SMN1; SMN2
SCHEMBL2415096 0.90 LMNA (0.46) NLRP3HDAC1SMN1; SMN2TP53HPGD
SCHEMBL2413756 0.87 POLB (0.46) USP2NLRP3KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 USP2 3227/4885NLRP3 1495/4885KMT2A 1298/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 USP2 3227/4885NLRP3 1495/4885KMT2A 1298/4885

“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.