Sugi Predict

Sugi Predict / Compounds / SCHEMBL5266863

SCHEMBL5266863

SCHEMBL5266863

CCOC(=O)c1cnc(SC)nc1NC1CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ NR2F2 P24468 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ S1PR2 O95136 1/20 0.61
▸ XBP1 P17861 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ PPP1CA P62136 1/20 0.61
▸ MAPT P10636 4/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ SYK P43405 2/20 0.57
▸ SMN1; SMN2 Q16637 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

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
SCHEMBL4715162 1.00 ALDH1A1 (0.61) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL30498501 0.99 ALDH1A1 (0.60) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL574167 0.99 ALDH1A1 (0.60) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL22860692 0.97 ALDH1A1 (0.60) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL4405587 0.94 ALDH1A1 (0.63) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL29508872 0.90 ALDH1A1 (0.58) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL26930607 0.90 ALDH1A1 (0.58) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL22860492 0.90 ALDH1A1 (0.58) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL26930605 0.90 ALDH1A1 (0.58) ALDH1A1NR2F2NPSR1MEN1KMT2A
SCHEMBL4157935 0.89 ALDH1A1 (0.57) ALDH1A1NR2F2NPSR1MEN1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324872-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2022-10-13 — — US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 — — US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 — — US disclosed
CN-114394966-A Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2022-04-26 — — CN disclosed
EP-3497103-B1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER (US) 2021-05-05 — — EP disclosed
EP-3497103-B1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER (US) 2021-05-05 — — EP disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 — — 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-10800783-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2020-10-13 — — 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
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 — — US disclosed
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 — — EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 — — US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 — — US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 — — WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 — — EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 — — WO 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-20220324872-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885NR2F2 3083/4885NPSR1 3323/4885
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 ALDH1A1 1162/4885NR2F2 718/4885NPSR1 2512/4885
US-20200392142-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 ALDH1A1 3667/4885NR2F2 3028/4885NPSR1 3379/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885NR2F2 3083/4885NPSR1 3323/4885
US-10800783-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885NR2F2 3083/4885NPSR1 3323/4885
US-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 ALDH1A1 3720/4885NR2F2 3083/4885NPSR1 3323/4885

“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.