SCHEMBL5725752

SCHEMBL5725752

Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1c(F)cccc1F

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.76
CCNA2 P20248 18/20 0.76
CCNE1 P24864 2/20 0.64
CDK4 P11802 2/20 0.63
CCND1 P24385 2/20 0.63
CDK9 P50750 2/20 0.63
CDK6 Q00534 2/20 0.63
CCNT1 O60563 1/20 0.63
CDK11A Q9UQ88 1/20 0.63
CCNK O75909 1/20 0.62
CDK1 P06493 1/20 0.62
CCNB1 P14635 1/20 0.62
GSK3B P49841 1/20 0.62
CCNA1 P78396 1/20 0.62
CDK3 Q00526 1/20 0.62
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62

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
SCHEMBL6697935 0.93 CCNA2 (0.69) CDK2CCNA2CCNE1CDK4CCND1
SCHEMBL6191533 0.91 CCNA2 (0.63) CDK2CCNA2CCNE1CDK4CCND1
SCHEMBL5725380 0.91 CCNA2 (0.67) CDK2CCNA2CCNE1CDK4CCND1
SCHEMBL6694011 0.90 CCNT1 (0.64) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL5725445 0.90 CCNA2 (0.71) CDK2CCNA2CCNE1CDK4CCND1
SCHEMBL6194773 0.90 CCNA2 (0.70) CDK2CCNA2CCNE1CDK4CCND1
SCHEMBL6194817 0.89 CCNA2 (0.67) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL5725714 0.88 CCNT1 (0.62) CDK2CCNA2CDK4CCND1CDK9
SCHEMBL6193752 0.88 CCNA2 (0.67) CDK2CCNA2CCNE1CDK4CCND1
SCHEMBL6193409 0.88 CCNA2 (0.67) CDK2CCNA2CCNE1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596631-B2 CDK12 inhibitors and their uses THE UNIVERSITY OF NOTTINGHAM (GB) 2023-03-07 US disclosed
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 US disclosed
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 US disclosed
US-20190038625-A1 INHIBITORS AND THEIR USES THE UNIVERSITY OF NOTTINGHAM (GB) 2019-02-07 US disclosed
WO-2017163076-A1 INHIBITORS AND THEIR USES THE UNIVERSITY OF NOTTINGHAM (GB) 2017-09-28 WO disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1215208-B1 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases AGOURON PHARMA (US) 2006-07-12 EP disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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 (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-11596631-B2 CDK12 inhibitors and their uses CDK12, CDK1, CDK17 CDK2 13/4885CCNA2 16/4885CCNE1 59/4885
US-20190038625-A1 INHIBITORS AND THEIR USES CDK12, CDK1, CDK17 CDK2 12/4885CCNA2 14/4885CCNE1 56/4885
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL CDK2 170/4885CCNA2 107/4885CCNE1 104/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 CDK2 1/4885CCNA2 24/4885CCNE1 18/4885

“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.