SCHEMBL13638690

SCHEMBL13638690

Cc1cc(Nc2nc(Cl)nc3c2SCC3)[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ PAK4 O96013 1/20 0.32

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
SCHEMBL19624259 0.73 NFKB1 (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL21099276 0.69 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL31491328 0.68 KIF11 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL375687 0.68 PDE4B (0.44) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL31469077 0.68 SYK (0.41) RAB9ASMN1; SMN2MAPTMEN1POLB
SCHEMBL2062060 0.68 JAK2 (0.40) MEN1KMT2AHTTPLK4PAK4
SCHEMBL17304181 0.68 PLK4 (0.36) MEN1KMT2AHTTPLK4PAK4
SCHEMBL4511831 0.68 PAK1 (0.40) HTTPAK4
SCHEMBL2917889 0.67 KMT2A (0.36) SMN1; SMN2KMT2A
SCHEMBL13211477 0.67 HPGD (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 NPC1 592/4885RAB9A 2239/4885SMN1; SMN2 3196/4885

“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.

Send feedback