SCHEMBL20891948

SCHEMBL20891948

CCOC(=O)c1cnc(SC)nc1NN(C)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ SYK P43405 2/20 0.57
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ FOS P01100 1/20 0.54
▸ JUN P05412 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL4405587 0.82 ALDH1A1 (0.63) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL20875489 0.82 ALDH1A1 (0.53) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL22860692 0.81 ALDH1A1 (0.60) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL30498501 0.81 ALDH1A1 (0.60) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL16120470 0.81 ALDH1A1 (0.67) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL21296370 0.81 ALDH1A1 (0.60) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL574167 0.81 ALDH1A1 (0.60) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL1521842 0.80 ALDH1A1 (0.70) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL29545771 0.80 ALDH1A1 (0.70) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL5266863 0.80 ALDH1A1 (0.61) ALDH1A1SYKMAPTSMN1; SMN2LMNA

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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885SYK 2823/4885MAPT 4445/4885

“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