SCHEMBL2670940

SCHEMBL2670940

NC(=O)OC(=O)c1ccc2cccc(N)c2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 4/20 0.36
HTR3A P46098 1/20 0.36
MMP2 P08253 2/20 0.35
PDE4D Q08499 1/20 0.34
PLAU P00749 2/20 0.34
NCF1 P14598 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4819927 0.83 ALDH1A1 (0.46) PIM1KDM4EKMT2AMMP2CA1
SCHEMBL4823327 0.82 PIM1 (0.69) PIM1KDM4EKMT2APARP1HTR3A
Carbamic Acid SCHEMBL2670938 0.79 KDM4E (0.62) PIM1KDM4EKMT2AMMP2
SCHEMBL3388245 0.78 KDM4E (0.66) PIM1KDM4EKMT2AMMP2
SCHEMBL29831204 0.78 KDM4E (0.66) PIM1KDM4EKMT2AMMP2
SCHEMBL8541555 0.76 ALDH1A1 (0.54) PIM1KDM4EKMT2APLAUCYP1A2
SCHEMBL10635595 0.76 MGAM (0.58) KDM4EKMT2A
SCHEMBL5202897 0.76 MTNR1A (0.42) PIM1KDM4EKMT2APARP1HTR3A
SCHEMBL28346452 0.73 PIM1 (0.45) PIM1KDM4EKMT2APARP1HTR3A
SCHEMBL27998643 0.73 CNR2 (0.58) PIM1KDM4EKMT2AMMP2

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-20120108529-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-05-03 US disclosed
WO-2010132852-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS INC. (US) 2010-11-18 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-20120108529-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP PIM1 390/4885KDM4E 858/4885KMT2A 1618/4885

“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.