SCHEMBL5725252

SCHEMBL5725252

Cc1ccc(C)c(C(=O)CBr)c1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.47
PTPN1 P18031 7/20 0.40
NCEH1 Q6PIU2 1/20 0.33
HPGDS O60760 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 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
SCHEMBL5725592 0.80 GSK3B (0.48) GSK3BPTPN1HPGDSALDH1A1MAPT
SCHEMBL11364813 0.80 GSK3B (0.43) GSK3BPTPN1
SCHEMBL5995789 0.75 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28053446 0.75 GSK3B (0.40) GSK3BPTPN1HPGDSMEN1KMT2A
SCHEMBL24053107 0.74 MEN1 (0.45) GSK3BPTPN1HPGDSMEN1KMT2A
SCHEMBL12533486 0.74 CA12 (0.48) GSK3BPTPN1MEN1KMT2AALDH1A1
SCHEMBL5725045 0.74 GSK3B (0.42) GSK3BPTPN1ALDH1A1
SCHEMBL4831588 0.74 PTPN1 (0.54) GSK3BPTPN1HPGDSMEN1KMT2A
SCHEMBL22286097 0.72 GSK3B (0.41) GSK3BPTPN1MEN1KMT2AALDH1A1
SCHEMBL15698329 0.72 GSK3B (0.41) GSK3BPTPN1HPGDSMEN1KMT2A

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 6 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

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 GSK3B 399/4885PTPN1 659/4885NCEH1 4151/4885

“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.