SCHEMBL13657244

SCHEMBL13657244

NCNCc1cnn2c(Cl)nc(SCc3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
PAK4 O96013 3/20 0.39
HSP90AA1 P07900 1/20 0.36
METAP2 P50579 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
CXCR2 P25025 1/20 0.36
CTSB P07858 2/20 0.35
TOP2A P11388 1/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 2/20 0.34
PPARG P37231 2/20 0.34
KMT2A Q03164 2/20 0.34
NCOA2 Q15596 2/20 0.34
NCOA1 Q15788 2/20 0.34
KDM1A O60341 2/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL13657245 0.87 RAB9A (0.39) RAB9ASMN1; SMN2NPC1PAK4HSP90AA1
SCHEMBL14287456 0.85 RAB9A (0.42) RAB9ASMN1; SMN2NPC1PAK4HSP90AA1
SCHEMBL13650599 0.77 RAB9A (0.43) RAB9ASMN1; SMN2NPC1PAK4HSP90AA1
SCHEMBL4125812 0.75 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1PAK4HSP90AA1
SCHEMBL14287459 0.71 RAB9A (0.42) RAB9ASMN1; SMN2NPC1PAK4HSP90AA1
SCHEMBL13752162 0.63 RAB9A (0.70) RAB9ASMN1; SMN2NPC1PAK4HSP90AA1
SCHEMBL13650603 0.63 RAB9A (0.43) RAB9ASMN1; SMN2NPC1HSP90AA1METAP2
SCHEMBL5888974 0.63 RAB9A (0.59) RAB9ASMN1; SMN2NPC1PAK4HSP90AA1
SCHEMBL13894902 0.62 CTSB (0.36) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL4108740 0.62 CTSB (0.36) RAB9ASMN1; SMN2NPC1HSP90AA1METAP2

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-20090247501-A1 PROTEIN KINASE INHIBITORS POLARIS GROUP (TW) 2009-10-01 US disclosed
US-7517882-B2 Protein kinase inhibitors POLARIS GROUP (CN) 2009-04-14 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-20090247501-A1 PROTEIN KINASE INHIBITORS MAP3K15, MAP3K20, MAP3K5 RAB9A 2131/4885SMN1; SMN2 1861/4885NPC1 3693/4885

“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.