SCHEMBL20875402

SCHEMBL20875402

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ SYK P43405 3/20 0.53
▸ MAPT P10636 6/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ FOS P01100 1/20 0.51
▸ JUN P05412 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL30310734 1.00 ALDH1A1 (0.55) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL25031184 0.87 ALDH1A1 (0.57) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL20875448 0.86 SYK (0.57) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL25904913 0.84 SYK (0.55) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL23126623 0.84 SYK (0.52) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL30310811 0.84 SYK (0.52) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL20875489 0.83 ALDH1A1 (0.53) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL20875531 0.82 SYK (0.52) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL20658731 0.82 ALDH1A1 (0.62) ALDH1A1SYKMAPTSMN1; SMN2LMNA
SCHEMBL23126549 0.82 SYK (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 — — WO disclosed
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.

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