SCHEMBL20875396

SCHEMBL20875396

CCOC(=O)c1cnc(SC)nc1NNC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
SYK P43405 2/20 0.60
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
LMNA P02545 2/20 0.57
FOS P01100 1/20 0.57
JUN P05412 1/20 0.57
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL30873298 0.88 ALDH1A1 (0.65) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL13734502 0.88 ALDH1A1 (0.65) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL25829315 0.86 ALDH1A1 (0.67) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL6631142 0.84 ALDH1A1 (0.64) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL1521842 0.83 ALDH1A1 (0.70) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL29545771 0.83 ALDH1A1 (0.70) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL23141936 0.83 ALDH1A1 (0.69) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL30354987 0.83 ALDH1A1 (0.63) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL20891985 0.83 ALDH1A1 (0.63) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL30718919 0.83 ALDH1A1 (0.69) ALDH1A1SYKMAPTSMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 US disclosed
EP-3694861-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
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 (3 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-11299493-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, NME1 ALDH1A1 2869/4885SYK 2823/4885MAPT 4445/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885SYK 2823/4885MAPT 4445/4885
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.