SCHEMBL913347

SCHEMBL913347

S=c1[nH]cnc2ccsc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.61
PARP1 P09874 1/20 0.61
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
HTR2C P28335 1/20 0.36
ALOX12 P18054 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.33

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
Hydrochloric Acid SCHEMBL30700362 0.74 PDPK1 (0.96) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL3552668 0.73 PDPK1 (0.58) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL1991594 0.70
SCHEMBL913578 0.68 RAB9A (0.47) PDPK1PARP1HTTSMN1; SMN2GAA
SCHEMBL31324910 0.67 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL423202 0.67 AXL (0.44) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL7228363 0.67 PDPK1 (0.40) PDPK1PARP1HTTSMN1; SMN2GAA
SCHEMBL19305251 0.65 PDPK1 (0.49) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL914329 0.64 AXL (0.41) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL8180483 0.63 CYP2A6 (0.34) EGFRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 PDPK1 1297/4885PARP1 610/4885AXL 2677/4885

“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.