SCHEMBL4437012

SCHEMBL4437012

NC(=O)CNC(=O)c1cnn2cc(Cc3cc(Cl)ccc3C(F)(F)F)cnc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.42
IRAK4 Q9NWZ3 8/20 0.40
PDE2A O00408 5/20 0.40
PDE10A Q9Y233 2/20 0.38
IRAK1 P51617 2/20 0.37
ALDH1A1 P00352 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NR3C1 P04150 1/20 0.36

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 0.91 IRAK4 (0.42) KLKB1IRAK4PDE2APDE10AIRAK1
SCHEMBL14033296 0.88 PDE2A (0.43) KLKB1IRAK4PDE2APDE10AIRAK1
SCHEMBL14033455 0.88 IRAK4 (0.43) IRAK4PDE2APDE10AIRAK1JAK2
SCHEMBL14033701 0.86 IRAK4 (0.43) IRAK4PDE2AIRAK1JAK2JAK1
SCHEMBL4444836 0.85 PDE2A (0.43) PDE2ANR3C1
SCHEMBL4434781 0.85 NR3C1 (0.47) IRAK4PDE2AALDH1A1KDM4EGAA
SCHEMBL4437368 0.84 MRGPRX4 (0.42) PDE2APDE10AKDM4E
SCHEMBL4439750 0.81 PDE2A (0.41) IRAK4PDE2APDE10AIRAK1KDM4E
SCHEMBL14033962 0.80 PDE2A (0.44) PDE2APDE10A
SCHEMBL14033447 0.79 HSD17B10 (0.47) IRAK4PDE2AALDH1A1JAK2KDM4E

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 7 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
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
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 KLKB1 2540/4885IRAK4 1203/4885PDE2A 2511/4885

“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.