SCHEMBL4159941

SCHEMBL4159941

CN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(CCCC(=O)O)c4c3c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 5/20 0.36
HTT P42858 1/20 0.36
DDR1 Q08345 4/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
SPR P35270 4/20 0.34
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.33
CASP3 P42574 1/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 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
SCHEMBL3246028 0.86 KDM4E (0.44) JAK2JAK1JAK3KDM4EHTT
SCHEMBL4161880 0.85 BRD4 (0.43) JAK2JAK1JAK3KDM4EHTT
Butyric Acid SCHEMBL4159945 0.83 JAK2 (0.44) JAK2JAK1JAK3KDM4EHTT
SCHEMBL3252042 0.82 KDM4E (0.38) JAK2JAK1JAK3KDM4EHTT
Hydrochloric Acid SCHEMBL4163611 0.81 KDM4E (0.39) KDM4EHTTALDH1A1GAAMAPT
SCHEMBL4159975 0.80 KDM4E (0.33) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL4166441 0.79 KDM4E (0.32) KDM4EGAAMAPT
SCHEMBL4165089 0.78 GAA (0.40) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL4160299 0.78 MEN1 (0.42) GAAMEN1KMT2APOLB
SCHEMBL4166910 0.78 KDM4E (0.39) KDM4EALDH1A1GAAMAPTHSD17B10

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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 (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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 JAK2 70/4885JAK1 136/4885JAK3 171/4885

“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.