SCHEMBL4250864

SCHEMBL4250864

NC(=O)c1c[c]cc2sc(N)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
NSD1 Q96L73 1/20 0.36
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 1/20 0.34
LIMK1 P53667 2/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4638534 0.82
SCHEMBL3178005 0.82 NPC1 (0.34) ALDH1A1SMN1; SMN2HSD17B10LIMK1TP53
SCHEMBL3756193 0.82 KDM4E (0.32) ALDH1A1LMNATSHRPARP1
SCHEMBL4250094 0.76 DYRK1A (0.48) PDPK1SMN1; SMN2CYP3A4HTTCYP2C19
SCHEMBL4470820 0.75 PDPK1 (0.59) PDPK1ALDH1A1LMNASMN1; SMN2PDE10A
SCHEMBL3750058 0.74 PARP14 (0.34) ALDH1A1HTTMAPTPARP1
SCHEMBL3752317 0.72 HTR2C (0.39) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL6717831 0.72 ALDH1A1 (0.38) PDPK1NSD1ALDH1A1LMNASMN1; SMN2
SCHEMBL4253113 0.71 NPC1 (0.53) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL3744443 0.70 THRB (0.35) LMNAMEN1MAPK1KMT2APARP1

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-20090170914-A1 Cermide Kinase Modulation BORNANCIN FREDERIC 2009-07-02 US disclosed
EP-2004617-A2 CERAMIDE KINASE MODULATION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007112914-A2 CERAMIDE KINASE MODULATION NOVARTIS AG (CH) 2007-10-11 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-20090170914-A1 Cermide Kinase Modulation CERS2, CHKB, SPHK2 PDPK1 20/4885NSD1 2692/4885ALDH1A1 4781/4885

“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.