SCHEMBL5725699

SCHEMBL5725699

Cc1nc[nH]c1C(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
GSK3B P49841 2/20 0.38
GABRR1 P24046 1/20 0.38
GDA Q9Y2T3 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
PAX8 Q06710 1/20 0.33
MMP9 P14780 1/20 0.33
PTPN1 P18031 1/20 0.32
MAPK1 P28482 1/20 0.32

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
Bromide SCHEMBL10859520 0.98 KDM4E (0.39) KDM4EGSK3BGABRR1GDASMN1; SMN2
SCHEMBL22656785 0.79 KDM4E (0.42) KDM4EGABRR1GDASMN1; SMN2GAA
SCHEMBL12176661 0.77 LMNA (0.45) KDM4ESMN1; SMN2LMNA
SCHEMBL1667866 0.75
SCHEMBL5726855 0.75
SCHEMBL11191356 0.74
Hydrochloric Acid SCHEMBL947740 0.74 KDM4E (0.47) KDM4EGABRR1GDASMN1; SMN2GAA
SCHEMBL11507885 0.74
SCHEMBL2824171 0.73 GAA (0.53) KDM4EGDASMN1; SMN2GAATDP1
Hydrochloric Acid SCHEMBL11084718 0.72 GDA (0.39) KDM4EGABRR1GDASMN1; SMN2GAA

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
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
US-4590299-A 2-guanidino-4-heteroarylthiazoles PFIZER INC. (US) 1986-05-20 US disclosed
US-4510313-A 2-Guanidino-4-heteroarylthiazoles PFIZER INC. (US) 1985-04-09 US disclosed
EP-0050458-B1 2-GUANIDINO-4-HETEROARYLTHIAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-02 EP disclosed
US-4452987-A Haloacetyl imidazoles PFIZER INC. (US) 1984-06-05 US disclosed
US-4374843-A 2-Guanidino-4-heteroarylthiazoles PFIZER INC. (US) 1983-02-22 US disclosed
EP-0050458-A2 2-Guanidino-4-heteroarylthiazoles and pharmaceutical compositions containing them PFIZER INC. (US) 1982-04-28 EP 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 (1 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-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 KDM4E 458/4885GSK3B 399/4885GABRR1 4321/4885

“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.