SCHEMBL14739167

SCHEMBL14739167

O[C@H]1CC[C@H](c2[nH]c3ncccc3c2Sc2ccc(Cl)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
HSD11B1 P28845 4/20 0.35
CDC7 O00311 4/20 0.34
KDR P35968 3/20 0.34
RET P07949 3/20 0.34
CHEK1 O14757 2/20 0.34
MAPK13 O15264 2/20 0.34
PDPK1 O15530 2/20 0.34
DAPK3 O43293 2/20 0.34
DYRK3 O43781 2/20 0.34
JAK2 O60674 2/20 0.34
PRKD3 O94806 2/20 0.34
PAK4 O96013 2/20 0.34
EGFR P00533 2/20 0.34
PRKCG P05129 2/20 0.34
CDK1 P06493 2/20 0.34
FES P07332 2/20 0.34
CSF1R P07333 2/20 0.34
ROS1 P08922 2/20 0.34
PIM1 P11309 2/20 0.34

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
SCHEMBL14739169 1.00 PDK2 (0.37) PDK2HSD11B1CDC7KDRRET
SCHEMBL14753484 1.00 PDK2 (0.37) PDK2HSD11B1CDC7KDRRET
SCHEMBL14738748 0.86 RHEB (0.39) PDK2HSD11B1CDC7KDRRET
SCHEMBL7711798 0.86 RHEB (0.39) PDK2HSD11B1CDC7KDRRET
SCHEMBL14738750 0.86 RHEB (0.39) PDK2HSD11B1CDC7KDRRET
SCHEMBL7712475 0.78 CCNT1 (0.35) PDK2KDRRETCDK9FAAH
SCHEMBL14739411 0.77 AXL (0.36) CHEK1CLK2CDK5DYRK1BDYRK1A
SCHEMBL7712729 0.74 PDK2 (0.37) PDK2HSD11B1DRD2DRD4DRD3
SCHEMBL14738973 0.74 PDK2 (0.37) PDK2HSD11B1DRD2DRD4DRD3
SCHEMBL14739631 0.74 PDK2 (0.37) PDK2HSD11B1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 PDK2 2332/4885HSD11B1 2211/4885CDC7 4170/4885

“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.