SCHEMBL4725438

SCHEMBL4725438

Cc1nc2c(C(=O)NCCOCc3ccccc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 11/20 0.55
TP53 P04637 11/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL4775836 0.92 ALDH1A1 (0.61) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4781192 0.89 KDM4E (0.57) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4781351 0.87 KDM4E (0.59) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4797074 0.87 KDM4E (0.56) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4779622 0.85 KDM4E (0.55) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4781547 0.85 KDM4E (0.64) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4778294 0.84 KDM4E (0.53) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4794039 0.83 KDM4E (0.61) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4781826 0.82 KDM4E (0.59) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL4795070 0.81 ALDH1A1 (0.77) LMNATP53KDM4EALDH1A1HPGD

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-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US claimed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO claimed
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080221129-A1 New compounds SCD, SCD5, FASN LMNA 2075/4885TP53 1572/4885KDM4E 3813/4885

“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.