SCHEMBL5725482

SCHEMBL5725482

CN(C)CCCN(C)c1ccc(N=C=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.43
MIF P14174 1/20 0.38
MMP14 P50281 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CACNA1B Q00975 1/20 0.31
BACH1 O14867 1/20 0.30
MAFK O60675 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL5725470 0.90 P2RY6 (0.46) P2RY6MIFMMP14CA1CA2
SCHEMBL5725563 0.79 P2RY6 (0.42) P2RY6MIFCA1CA2MAPT
SCHEMBL13785043 0.78 OPRD1 (0.41) P2RY6
SCHEMBL8400632 0.77 ALDH1A1 (0.53) MMP14CA2MAPTHSD17B10ADRA2A
SCHEMBL3597778 0.77 KDM4E (0.59) P2RY6KDM4EALDH1A1SMN1; SMN2
SCHEMBL249847 0.74 ALDH1A1 (0.52) P2RY6MIFCA1CA2MAPT
SCHEMBL20180579 0.72 ALDH1A1 (0.46) CA2MAPTALDH1A1
SCHEMBL5727405 0.72 HSD17B10 (0.50) P2RY6MIFMMP14CA1CA2
SCHEMBL631842 0.71 HRH3 (0.54) P2RY6MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL22837856 0.71 SLC6A4 (0.41) MAPTALDH1A1CACNA1B

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 P2RY6 2398/4885MIF 3286/4885MMP14 3115/4885

“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.