SCHEMBL5725656

SCHEMBL5725656

CN1CCN(S(=O)(=O)c2ccc(N=C=S)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 4/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.54
APOBEC3A P31941 2/20 0.50
APOBEC3G Q9HC16 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL4757990 0.86 ATM (0.59) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL2913521 0.84 USP2 (0.65) POLBSMN1; SMN2USP2TSHRKMT2A
SCHEMBL1805850 0.82 POLB (0.61) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL17393963 0.76 L3MBTL1 (0.48) ATMSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL11052251 0.76 ALDH1A1 (0.71) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL8336294 0.75 VCAM1 (0.64) TSHRHTTL3MBTL1LMNAALDH1A1
SCHEMBL9386579 0.75 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL7564728 0.75 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL8200020 0.75 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL16281071 0.74 PKM (0.86) ATMPOLBSMN1; SMN2USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 ATM 526/4885POLB 484/4885SMN1; SMN2 1507/4885

“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.