SCHEMBL4439750

SCHEMBL4439750

NC(=O)CNC(=O)c1cnn2cc(Cc3ccc(F)c(Cl)c3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.41
PDE10A Q9Y233 3/20 0.40
IRAK4 Q9NWZ3 5/20 0.39
GPR52 Q9Y2T5 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
IRAK1 P51617 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL14033169 0.91 PDE2A (0.42) PDE2AIRAK4KDM4EPKMHSD17B10
SCHEMBL14033706 0.91 GPR52 (0.41) PDE2APDE10AIRAK4GPR52HDAC3
SCHEMBL4555621 0.87 GPR52 (0.50) PDE2APDE10AIRAK4GPR52LMNA
SCHEMBL4444836 0.87 PDE2A (0.43) PDE2AGPR52
SCHEMBL14033696 0.86 IRAK4 (0.42) PDE2APDE10AIRAK4KDM4EPKM
SCHEMBL4434781 0.86 NR3C1 (0.47) PDE2AIRAK4KDM4EPKMHSD17B10
SCHEMBL14033296 0.86 PDE2A (0.43) PDE2APDE10AIRAK4GPR52BMPR1A
SCHEMBL14033317 0.85 PIK3CA (0.40) PDE2APDE10AIRAK4GPR52HDAC3
SCHEMBL14033701 0.83 IRAK4 (0.43) PDE2AIRAK4KDM4EPKMHSD17B10
SCHEMBL14033455 0.83 IRAK4 (0.43) PDE2APDE10AIRAK4KDM4EPKM

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 5 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 claimed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO claimed
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 PDE2A 2511/4885PDE10A 3664/4885IRAK4 1203/4885

“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.