SCHEMBL19863577

SCHEMBL19863577

CCOC(=O)c1cnc(SC)nc1N[C@@H]1COC[C@@]1(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 6/20 0.51
SYK P43405 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.48
FOS P01100 1/20 0.48
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
NR2F2 P24468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL20955932 0.86 NR3C1 (0.36) ALDH1A1MAPTSYKSMN1; SMN2MEN1
SCHEMBL20955933 0.86 NR3C1 (0.36) ALDH1A1MAPTSYKSMN1; SMN2MEN1
SCHEMBL22860689 0.84 ALDH1A1 (0.54) ALDH1A1MAPTSYKSMN1; SMN2LMNA
SCHEMBL30839178 0.84 ALDH1A1 (0.54) ALDH1A1MAPTSYKSMN1; SMN2LMNA
SCHEMBL22860427 0.80 SYK (0.55) ALDH1A1MAPTSYKSMN1; SMN2LMNA
SCHEMBL19886120 0.80 ALDH1A1 (0.56) ALDH1A1MAPTSYKSMN1; SMN2LMNA
SCHEMBL5744856 0.79 ALDH1A1 (0.55) ALDH1A1MAPTSYKSMN1; SMN2LMNA
SCHEMBL5744853 0.79 ALDH1A1 (0.55) ALDH1A1MAPTSYKSMN1; SMN2LMNA
SCHEMBL22860170 0.79 ALDH1A1 (0.55) ALDH1A1MAPTSYKSMN1; SMN2LMNA
SCHEMBL4405587 0.79 ALDH1A1 (0.63) ALDH1A1MAPTSYKSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 US disclosed
US-10800783-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2020-10-13 US disclosed
US-20190135817-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2019-05-09 US disclosed
US-10233188-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2019-03-19 US disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 US disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 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 (6 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-20200392142-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 ALDH1A1 3667/4885MAPT 3255/4885SYK 1565/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885MAPT 3262/4885SYK 1628/4885
US-10800783-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885MAPT 3262/4885SYK 1628/4885
US-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885MAPT 3262/4885SYK 1628/4885
US-20190135817-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885MAPT 3262/4885SYK 1628/4885
US-10233188-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885MAPT 3262/4885SYK 1628/4885

“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.