SCHEMBL14033296

SCHEMBL14033296

NC(=O)CNC(=O)c1cnn2cc(Cc3ccc(Cl)cc3F)cnc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.43
PDE10A Q9Y233 3/20 0.43
GPR52 Q9Y2T5 1/20 0.42
IRAK4 Q9NWZ3 9/20 0.42
IRAK1 P51617 2/20 0.39
KLKB1 P03952 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL14033696 0.93 IRAK4 (0.42) PDE2APDE10AIRAK4IRAK1KLKB1
SCHEMBL14033701 0.90 IRAK4 (0.43) PDE2AIRAK4IRAK1JAK2JAK1
SCHEMBL14033455 0.89 IRAK4 (0.43) PDE2APDE10AIRAK4IRAK1JAK2
SCHEMBL4437012 0.88 KLKB1 (0.42) PDE2APDE10AIRAK4IRAK1KLKB1
SCHEMBL4439750 0.86 PDE2A (0.41) PDE2APDE10AGPR52IRAK4IRAK1
SCHEMBL14033447 0.81 HSD17B10 (0.47) PDE2AIRAK4JAK2
SCHEMBL4437368 0.81 MRGPRX4 (0.42) PDE2APDE10A
SCHEMBL14033169 0.81 PDE2A (0.42) PDE2AIRAK4IRAK1
SCHEMBL4444836 0.80 PDE2A (0.43) PDE2AGPR52
SCHEMBL4434781 0.78 NR3C1 (0.47) PDE2AIRAK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3664/4885GPR52 1409/4885

“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.