SCHEMBL4444670

SCHEMBL4444670

COc1ccc(NC(=O)c2cnn3cc(Cc4ccc(F)c(C(F)(F)F)c4)cnc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
SCD O00767 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
PDE2A O00408 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL14033418 0.84 HTT (0.52) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14033024 0.80 GRM2 (0.42) PDE2A
SCHEMBL4438159 0.79 PDE2A (0.44) NR3C1SCDPDE2A
SCHEMBL4555759 0.78 GRM2 (0.41) NR3C1KDM4EKCNQ3KCNQ2KCNE1
SCHEMBL4444836 0.78 PDE2A (0.43) NR3C1SCDPDE2A
SCHEMBL14033742 0.75 PDE2A (0.40) SCDPDE2A
SCHEMBL14033661 0.75 GRM2 (0.41) SCDPDE2A
SCHEMBL4032759 0.74 HDAC1 (0.49) NR3C1MAPTNPC1THRB
SCHEMBL14033073 0.73 LMNA (0.37) LMNASCDPDE2AIRAK4
SCHEMBL14033857 0.70 KDM4A (0.50) NR3C1PDE2A

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
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 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-20080255153-A1 New compounds SCD, SCD5, FADS2 NR3C1 2779/4885KDM4E 1192/4885USP2 4583/4885

“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.