SCHEMBL5579371

SCHEMBL5579371

Cc1cc2nc(N)nc(C)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ADORA2B P29275 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ DHFR P00374 9/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 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
SCHEMBL21536748 0.84 SMN1; SMN2 (0.39) ALDH1A1CYP1A2HPGDNUDT1HSD17B10
SCHEMBL16441111 0.81 SMN1; SMN2 (0.37) ALDH1A1CYP1A2HPGDNUDT1HSD17B10
SCHEMBL12105229 0.79 SMN1; SMN2 (0.33) ALDH1A1HPGDHSD17B10SMN1; SMN2ADORA2A
SCHEMBL23513918 0.77 KCNH2 (0.34) SMN1; SMN2ADORA2BADORA2A
SCHEMBL28386162 0.68 SMN1; SMN2 (0.56) ALDH1A1CYP1A2HPGDHSD17B10SMN1; SMN2
SCHEMBL30808060 0.68 IKBKB (0.53) ALDH1A1HPGDHSD17B10MAPTCDC7
SCHEMBL18312205 0.68 IKBKB (0.53) ALDH1A1HPGDHSD17B10MAPTCDC7
SCHEMBL31218404 0.68 SMN1; SMN2 (0.56) ALDH1A1CYP1A2HPGDHSD17B10SMN1; SMN2
SCHEMBL14871305 0.67 KIT (0.44) ADORA2BADORA2ACDC7DBF4
SCHEMBL17339831 0.66 PKM (0.33) ALDH1A1HPGDHSD17B10SMN1; SMN2TP53

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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 — — 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 ALDH1A1 1247/4885CYP1A2 918/4885HPGD 2073/4885

“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.

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