SCHEMBL19021561

SCHEMBL19021561

CC(=O)c1c(C)c2cnc(S(C)(=O)=O)nc2n(C2CCCC2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.66
CCND1 P24385 18/20 0.66
CDK6 Q00534 7/20 0.66
CDK2 P24941 5/20 0.66
CCNT1 O60563 4/20 0.66
CDK9 P50750 4/20 0.66
CDK1 P06493 2/20 0.66
CCNE1 P24864 2/20 0.66
CCND3 P30281 13/20 0.59
CCND2 P30279 9/20 0.59
CCNA2 P20248 4/20 0.54
FGFR1 P11362 3/20 0.54
FGFR2 P21802 3/20 0.54
FGFR4 P22455 3/20 0.54
FGFR3 P22607 3/20 0.54
CCNA1 P78396 2/20 0.54
NUAK1 O60285 1/20 0.54
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
CHEK1 O14757 1/20 0.52

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
SCHEMBL19294159 0.85 CDK4 (0.64) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL22558085 0.85 CCND1 (0.52) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL28404189 0.84 CDK4 (0.63) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL13202797 0.83 CDK4 (0.52) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL29671046 0.83 CDK4 (0.62) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL18788069 0.83 CDK4 (0.62) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL4833350 0.83 CDK4 (0.62) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL23913121 0.82 CDK4 (0.61) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL19021358 0.81 CDK4 (0.60) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL18806093 0.81 CDK4 (0.71) CDK4CCND1CDK6CDK2CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956031-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH Pfizer Inc. (US) 2022-02-23 EP disclosed
US-20220024916-A1 HETEROCYCLIC COMIPOUND AS CDK-HDAC DUAL PATHWAY INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2022-01-27 US disclosed
US-11225492-B2 Heterocycles useful as anti-cancer agents HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2022-01-18 US disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
EP-3386981-B1 HETEROCYCLES USEFUL AS ANTI-CANCER AGENTS HANGZHOU INNOGATE PHARMA CO LTD (CN) 2021-10-13 EP disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 US disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 US disclosed
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO disclosed
WO-2017101763-A1 HETEROCYCLES USEFUL AS ANTI-CANCER AGENTS HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2017-06-22 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 (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-20220024916-A1 HETEROCYCLIC COMIPOUND AS CDK-HDAC DUAL PATHWAY INHIBITOR HDAC1, HDAC3, HDAC2 CDK4 16/4885CCND1 88/4885CDK6 5/4885
US-11225492-B2 Heterocycles useful as anti-cancer agents TP53, VHL, ABCG2 CDK4 9/4885CCND1 42/4885CDK6 86/4885
US-11203594-B2 Anti-proliferative agents for treating PAH EDNRB, EDNRA, PAH CDK4 219/4885CCND1 108/4885CDK6 335/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CDK4 219/4885CCND1 108/4885CDK6 335/4885

“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.