SCHEMBL20875448

SCHEMBL20875448

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.57
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 5/20 0.52
▸ FOS P01100 2/20 0.52
▸ JUN P05412 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ NFKB2 Q00653 2/20 0.52
▸ RELA Q04206 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL25904913 0.92 SYK (0.55) SYKALDH1A1MAPTFOSJUN
SCHEMBL30310811 0.89 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL20875531 0.89 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL23126549 0.89 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL30421007 0.89 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL23126623 0.89 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL20658731 0.89 ALDH1A1 (0.62) SYKALDH1A1MAPTFOSJUN
SCHEMBL25031184 0.88 ALDH1A1 (0.57) SYKALDH1A1MAPTFOSJUN
SCHEMBL20875506 0.88 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL25827991 0.87 SYK (0.51) SYKALDH1A1MAPTFOSJUN

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 12 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-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 — — US disclosed
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 — — US disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 — — US disclosed
EP-3952875-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2022-02-16 — — EP disclosed
WO-2020210380-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 — — WO disclosed
WO-2020210380-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 — — WO 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
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 (4 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 SYK 2823/4885ALDH1A1 2869/4885MAPT 4445/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SYK 2823/4885ALDH1A1 2869/4885MAPT 4445/4885
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SYK 2823/4885ALDH1A1 2869/4885MAPT 4445/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SYK 2823/4885ALDH1A1 2869/4885MAPT 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