SCHEMBL2029922

SCHEMBL2029922

O=C1NC(=O)/C(=C\c2cc(OCc3ccco3)nc(Cl)n2)S1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.61
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.40
CISD1 Q9NZ45 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PIM1 P11309 2/20 0.40
TTR P02766 1/20 0.40
BLM P54132 1/20 0.40
PLA2G1B P04054 1/20 0.40
POLB P06746 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
GSK3B P49841 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
AKR1B1 P15121 1/20 0.39
PTPN1 P18031 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
SCHEMBL2029925 1.00 HPGD (0.61) HPGDKDM4EHTTNPC1RAB9A
SCHEMBL2029921 1.00 HPGD (0.61) HPGDKDM4EHTTNPC1RAB9A
SCHEMBL1915210 0.83 HPGD (0.59) HPGDKDM4EHTTCNR1MEN1
SCHEMBL1915212 0.83 HPGD (0.59) HPGDKDM4EHTTCNR1MEN1
SCHEMBL1915213 0.83 HPGD (0.59) HPGDKDM4EHTTCNR1MEN1
SCHEMBL17043611 0.82 HPGD (0.54) HPGDKDM4EHTTMEN1ALDH1A1
SCHEMBL17043609 0.82 HPGD (0.54) HPGDKDM4EHTTMEN1ALDH1A1
SCHEMBL17043608 0.82 HPGD (0.54) HPGDKDM4EHTTMEN1ALDH1A1
SCHEMBL14150867 0.82 HPGD (0.40) HPGDKDM4ENPC1RAB9AMEN1
SCHEMBL12452355 0.82 HPGD (0.40) HPGDKDM4ENPC1RAB9AMEN1

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-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
US-20140080799-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2014-03-20 US disclosed
US-8563539-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2013-10-22 US disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 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-20140080799-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 HPGD 3318/4885KDM4E 1221/4885HTT 4057/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 HPGD 3330/4885KDM4E 1225/4885HTT 3990/4885

“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.